Geometry & MOs

Info

ID:

440818

PubChem CID:

135231652

Reduced:

ON7C28H37 (1)

Stoich.:

AB7C28D37 (1)

Weight, g/mol:

507.275802

ΔHf, kcal/mol:

90.31

Dipole, Da:

7.35

IP(EA), eV:

 -8.55(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[N-[[2-(4,4-dimethylpiperidin-1-yl)pyridin-4-yl]methyl]-C-methylcarbonimidoyl]-3-[4-(2-fluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazole-5-carboximidamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1CC2=CC(=CC=C2)N3CCN(CC3)C)/C(=N/N=C)/OCC4=CC=C(C=C4)C(C)(C)C

DOS

IR

Vibrations