Geometry & MOs

Info

ID:	66236
PubChem CID:	46500478
Reduced:	FO2N4C17H25 (1)
Stoich.:	AB2C4D17E25 (1)
Weight, g/mol:	351.207053
ΔH_f, kcal/mol:	-33.48
Dipole, Da:	7.62
IP(EA), eV:	-8.69(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(4-ethylpiperazin-1-yl)-4-fluoro-2-nitrophenyl]-4-methylpiperazine

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=C(C=C(C(=C2)N3CCCCC3)[N+](=O)[O-])F

DOS

IR

Vibrations