Geometry & MOs

Info

ID:

111091

PubChem CID:

50351934

Reduced:

N6O6C37H52 (1)

Stoich.:

A6B6C37D52 (1)

Weight, g/mol:

496.224119

ΔHf, kcal/mol:

-260.34

Dipole, Da:

9.21

IP(EA), eV:

 -8.07(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-1-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)NC(=O)C(C)C)OC)C(=O)NCC(C)C

DOS

IR

Vibrations