Geometry & MOs

Info

ID:	267960
PubChem CID:	103591252
Reduced:	FN3O3C13H16 (1)
Stoich.:	AB3C3D13E16 (1)
Weight, g/mol:	267.138305
ΔH_f, kcal/mol:	-48.7
Dipole, Da:	3.89
IP(EA), eV:	-8.98(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-5-methyl-2-nitrophenyl)-3,3-dimethylpiperazine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)[N+](=O)[O-])N(CCC#N)CCOC

DOS

IR

Vibrations