Geometry & MOs

Info

ID:

111723

PubChem CID:

50378931

Reduced:

O4N5C31H41 (1)

Stoich.:

A4B5C31D41 (1)

Weight, g/mol:

649.339483

ΔHf, kcal/mol:

-157.09

Dipole, Da:

2.21

IP(EA), eV:

 -8.97(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)NC)C

DOS

IR

Vibrations