Geometry & MOs

Info

ID:	173265
PubChem CID:	75612599
Reduced:	NOC10H11 (3)
Stoich.:	ABC10D11 (3)
Weight, g/mol:	425.267842
ΔH_f, kcal/mol:	-89.41
Dipole, Da:	8.18
IP(EA), eV:	-8.93(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-benzamidocyclohexyl)-1-(cyclopentanecarbonyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations