Geometry & MOs

Info

ID:	152160
PubChem CID:	56311029
Reduced:	N4O4C23H28 (1)
Stoich.:	A4B4C23D28 (1)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	-62.99
Dipole, Da:	9.74
IP(EA), eV:	-9.18(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations