Geometry & MOs

Info

ID:	412790
PubChem CID:	135085719
Reduced:	OS2H12C14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	213.051382
ΔH_f, kcal/mol:	62.99
Dipole, Da:	1.98
IP(EA), eV:	-8.85(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(trifluoromethyl)phenyl]triazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC#CCSC2=CC=CS2

DOS

IR

Vibrations