Geometry & MOs

Info

ID:	359265
PubChem CID:	127297799
Reduced:	ClN3O3C18H24 (1)
Stoich.:	AB3C3D18E24 (1)
Weight, g/mol:	333.124405
ΔH_f, kcal/mol:	-127.8
Dipole, Da:	7.0
IP(EA), eV:	-9.39(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CCCCO1)C(=O)NC2CC(=O)N(C2)C3=CC=CC=C3Cl

DOS

IR

Vibrations