Geometry & MOs

Info

ID:	152732
PubChem CID:	56311791
Reduced:	SN4O4C25H30 (1)
Stoich.:	AB4C4D25E30 (1)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	-137.35
Dipole, Da:	1.77
IP(EA), eV:	-9.15(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)N3CCN(CC3)C(=O)CC4=CC=CC=C4C)C

DOS

IR

Vibrations