Geometry & MOs

Info

ID:	174901
PubChem CID:	75827813
Reduced:	N3O6C17H20 (1)
Stoich.:	A3B6C17D20 (1)
Weight, g/mol:	385.155705
ΔH_f, kcal/mol:	-144.81
Dipole, Da:	2.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761089
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[2-[(2-chlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CC(=C(C(C1C(=O)NC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC)[O-])O

DOS

IR

Vibrations