Geometry & MOs

Info

ID:	153266
PubChem CID:	56312435
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	-61.69
Dipole, Da:	6.15
IP(EA), eV:	-9.28(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methyl-2-nitrophenyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C)[N+](=O)[O-]

DOS

IR

Vibrations