Geometry & MOs

Info

ID:	152159
PubChem CID:	56311028
Reduced:	OSN3C24H27 (1)
Stoich.:	ABC3D24E27 (1)
Weight, g/mol:	424.211055
ΔH_f, kcal/mol:	20.48
Dipole, Da:	5.71
IP(EA), eV:	-8.71(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5-nitrophenyl)-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CS2)CN3CCN(CC3)C(=O)CC4=CC=CC=C4C

DOS

IR

Vibrations