Geometry & MOs

Info

ID:

149980

PubChem CID:

53789663

Reduced:

NF3O3C20H24 (1)

Stoich.:

AB3C3D20E24 (1)

Weight, g/mol:

3918.046214

ΔHf, kcal/mol:

-250.2

Dipole, Da:

6.63

IP(EA), eV:

-8.39(-0.52)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N,N-bis(2-hydroxyethyl)-2-methylbutanamide;butan-2-ylbenzene;4-butan-2-yl-N,N-bis(2-hydroxyethyl)benzamide;4-butan-2-yl-N-(2-hydroxyethyl)benzamide;1-butan-2-yl-5-hydroxypyrrolidin-2-one;3-butan-2-yl-1,3-oxazinan-2-ol;1-butan-2-ylpiperidin-2-ol;1-butan-2-yl-2H-pyridin-2-ol;1-butan-2-ylpyrrolidin-2-ol;N,2-dimethylbutanamide;2,2-dimethylbutanamide;2,2-dimethylbutane;2,2-dimethylbutan-1-ol;ethanol;N-ethyl-2-methylbutanamide;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;hydroxymethyl 2,2-dimethylbutanoate;methanol;N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-2-methylbutanamide;2-methylbutanamide;2-methyl-1-morpholin-4-ylbutan-1-one;2-methyl-N-propan-2-ylbutanamide;2-methyl-1-pyrrolidin-1-ylbutan-1-one;phenylmethanol;N,N,2-trimethylbutanamide

Drug info:

PubChemData

Smile

C[C@H](CC1=CC(=C(C=C1)OC)OC)NC[C@@H](C2=CC(=CC=C2)C(F)(F)F)O

DOS

IR

Vibrations