Geometry & MOs

Info

ID:	362879
PubChem CID:	127309708
Reduced:	ClO2N3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	390.182254
ΔH_f, kcal/mol:	-47.95
Dipole, Da:	3.6
IP(EA), eV:	-8.98(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN(C1CC2=CC=CC=C2C1)C(=O)NC3CCN(C3=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations