Geometry & MOs

Info

ID:	362881
PubChem CID:	127309710
Reduced:	ClN3O3C18H22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	390.182254
ΔH_f, kcal/mol:	-108.15
Dipole, Da:	3.57
IP(EA), eV:	-9.06(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2C(C1)OCCN2C(=O)NC3CCN(C3=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations