Geometry & MOs

Info

ID:

110489

PubChem CID:

50326341

Reduced:

N3O3C15H20 (2)

Stoich.:

A3B3C15D20 (2)

Weight, g/mol:

605.282504

ΔHf, kcal/mol:

-227.69

Dipole, Da:

4.87

IP(EA), eV:

 -8.8(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-[2-(trifluoromethoxy)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)NC)OC)C(=O)N(C)C

DOS

IR

Vibrations