Geometry & MOs

Info

ID:	152844
PubChem CID:	56311922
Reduced:	ClN4O4C21H23 (1)
Stoich.:	AB4C4D21E23 (1)
Weight, g/mol:	393.241627
ΔH_f, kcal/mol:	-58.84
Dipole, Da:	5.02
IP(EA), eV:	-9.39(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations