Geometry & MOs

Info

ID:	153158
PubChem CID:	56312306
Reduced:	N4O5C23H28 (1)
Stoich.:	A4B5C23D28 (1)
Weight, g/mol:	440.20597
ΔH_f, kcal/mol:	-94.68
Dipole, Da:	7.36
IP(EA), eV:	-9.19(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxy-2-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=C(C=CC(=C3)[N+](=O)[O-])OC

DOS

IR

Vibrations