Geometry & MOs

Info

ID:	20109
PubChem CID:	579427
Reduced:	FN3O3H6C10 (1)
Stoich.:	AB3C3D6E10 (1)
Weight, g/mol:	235.039319
ΔH_f, kcal/mol:	-12.0
Dipole, Da:	7.54
IP(EA), eV:	-10.62(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluorophenyl)-(4-nitropyrazol-1-yl)methanone

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)N2C=C(C=N2)[N+](=O)[O-])F

DOS

IR

Vibrations