Geometry & MOs

Info

ID:	438318
PubChem CID:	135228051
Reduced:	FOSN2C17H21 (1)
Stoich.:	ABCD2E17F21 (1)
Weight, g/mol:	237.066203
ΔH_f, kcal/mol:	-20.03
Dipole, Da:	2.79
IP(EA), eV:	-7.73(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,5-dimethyltriazol-4-yl)-3-fluoro-2-nitropyridine

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)NC(C)(C1=CC=CC=C1)C2=C(C=CC=N2)F

DOS

IR

Vibrations