Geometry & MOs

Info

ID:	201249
PubChem CID:	79512640
Reduced:	FN3C14H14 (1)
Stoich.:	AB3C14D14 (1)
Weight, g/mol:	216.081124
ΔH_f, kcal/mol:	32.41
Dipole, Da:	7.23
IP(EA), eV:	-9.07(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-fluorobenzonitrile

Drug info:

PubChemData

Smile

CCC1=C(N(N=C1C)C2=C(C(=CC=C2)F)C#N)C

DOS

IR

Vibrations