Geometry & MOs

Info

ID:	152469
PubChem CID:	56311404
Reduced:	N2O3C25H28 (1)
Stoich.:	A2B3C25D28 (1)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	-82.23
Dipole, Da:	5.13
IP(EA), eV:	-9.19(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)CC4=CC=CC=C4C

DOS

IR

Vibrations