Geometry & MOs

Info

ID:	66237
PubChem CID:	46500479
Reduced:	FO2N5C17H26 (1)
Stoich.:	AB2C5D17E26 (1)
Weight, g/mol:	336.196154
ΔH_f, kcal/mol:	-20.28
Dipole, Da:	7.44
IP(EA), eV:	-8.89(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)piperazine

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)C)[N+](=O)[O-])F

DOS

IR

Vibrations