Geometry & MOs

Info

ID:	172063
PubChem CID:	75460652
Reduced:	ClN2O2C17H21 (1)
Stoich.:	AB2C2D17E21 (1)
Weight, g/mol:	314.199428
ΔH_f, kcal/mol:	-68.28
Dipole, Da:	3.2
IP(EA), eV:	-9.45(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-oxo-N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(CC1=O)C(=O)NC(C2CC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations