Geometry & MOs

Info

ID:	359827
PubChem CID:	127299871
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	346.179361
ΔH_f, kcal/mol:	-32.34
Dipole, Da:	5.59
IP(EA), eV:	-8.79(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-oxo-1-phenylpyrrolidin-3-yl)piperazin-1-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2CN(CCO2)C3CCN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations