Geometry & MOs

Info

ID:	23933
PubChem CID:	607150
Reduced:	F3N3O3H16C18 (1)
Stoich.:	A3B3C3D16E18 (1)
Weight, g/mol:	379.114376
ΔH_f, kcal/mol:	-134.18
Dipole, Da:	7.75
IP(EA), eV:	-9.22(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-difluoro-5-methylphenyl)-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)F)F)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])F

DOS

IR

Vibrations