Geometry & MOs

Info

ID:	152253
PubChem CID:	56311146
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	489.035838
ΔH_f, kcal/mol:	-64.21
Dipole, Da:	7.07
IP(EA), eV:	-9.41(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations