Geometry & MOs

Info

ID:	438289
PubChem CID:	135228020
Reduced:	FON2C5H5 (2)
Stoich.:	ABC2D5E5 (2)
Weight, g/mol:	236.070954
ΔH_f, kcal/mol:	-27.99
Dipole, Da:	8.67
IP(EA), eV:	-9.67(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-fluoro-4-nitrophenyl)-1,4-dimethyltriazole

Drug info:

PubChemData

Smile

C/C(=N/N)/C(=NC)C1=CC(=C(C(=C1)F)[N+](=O)[O-])F

DOS

IR

Vibrations