Geometry & MOs

Info

ID:

111515

PubChem CID:

50370721

Reduced:

N2O2C15H20 (2)

Stoich.:

A2B2C15D20 (2)

Weight, g/mol:

629.394105

ΔHf, kcal/mol:

-159.78

Dipole, Da:

6.02

IP(EA), eV:

 -8.31(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-methyl-3-(3-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC)C(=O)NC4CCCCC4

DOS

IR

Vibrations