Geometry & MOs

Info

ID:	153236
PubChem CID:	56312399
Reduced:	SO2N4C21H28 (1)
Stoich.:	AB2C4D21E28 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-59.46
Dipole, Da:	4.35
IP(EA), eV:	-8.6(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-methyl-3-nitrophenyl)methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)NC(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C)C

DOS

IR

Vibrations