Geometry & MOs

Info

ID:

103915

PubChem CID:

50085441

Reduced:

O3N4C32H38 (1)

Stoich.:

A3B4C32D38 (1)

Weight, g/mol:

597.331505

ΔHf, kcal/mol:

-95.5

Dipole, Da:

8.25

IP(EA), eV:

 -8.56(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[2-methyl-3-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4C)C)C

DOS

IR

Vibrations