Geometry & MOs

Info

ID:	69086
PubChem CID:	46518185
Reduced:	FO3N4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	446.162391
ΔH_f, kcal/mol:	-48.19
Dipole, Da:	2.5
IP(EA), eV:	-8.43(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-4-nitrophenyl)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCC(=O)NC2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)F

DOS

IR

Vibrations