Geometry & MOs

Info

ID:	112229
PubChem CID:	50399323
Reduced:	FO4N5C31H34 (1)
Stoich.:	AB4C5D31E34 (1)
Weight, g/mol:	519.284555
ΔH_f, kcal/mol:	-167.4
Dipole, Da:	7.27
IP(EA), eV:	-8.7(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(cyclopentylcarbamoyl)phenyl]-1-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC)F

DOS

IR

Vibrations