Geometry & MOs

Info

ID:	20793
PubChem CID:	585704
Reduced:	FO3N4C17H19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	346.144119
ΔH_f, kcal/mol:	-44.76
Dipole, Da:	8.0
IP(EA), eV:	-8.67(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-5-[4-(3-methoxyphenyl)piperazin-1-yl]-2-nitroaniline

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCN(CC2)C3=C(C=C(C(=C3)N)[N+](=O)[O-])F

DOS

IR

Vibrations