Geometry & MOs

Info

ID:	152236
PubChem CID:	56311125
Reduced:	O3N4C25H32 (1)
Stoich.:	A3B4C25D32 (1)
Weight, g/mol:	402.205576
ΔH_f, kcal/mol:	-110.83
Dipole, Da:	2.21
IP(EA), eV:	-8.6(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)N2CCN(CC2)C(=O)CC3=CC=CC=C3C)C

DOS

IR

Vibrations