Geometry & MOs

Info

ID:	122937
PubChem CID:	50827376
Reduced:	NOC9H9 (3)
Stoich.:	ABC9D9 (3)
Weight, g/mol:	475.166269
ΔH_f, kcal/mol:	-61.86
Dipole, Da:	4.12
IP(EA), eV:	-9.05(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-[4-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations