Geometry & MOs

Info

ID:	18054
PubChem CID:	535599
Reduced:	FO2N3C12H16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	253.122655
ΔH_f, kcal/mol:	-33.41
Dipole, Da:	8.15
IP(EA), eV:	-8.8(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoro-5-methyl-4-nitrophenyl)-4-methylpiperazine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])F)N2CCN(CC2)C

DOS

IR

Vibrations