Geometry & MOs

Info

ID:	153054
PubChem CID:	56312178
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	440.20597
ΔH_f, kcal/mol:	-57.02
Dipole, Da:	6.54
IP(EA), eV:	-9.13(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxy-4-nitrophenyl)-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations