Geometry & MOs

Info

ID:	23768
PubChem CID:	606021
Reduced:	N3F6H11C17 (1)
Stoich.:	A3B6C11D17 (1)
Weight, g/mol:	371.085716
ΔH_f, kcal/mol:	-190.81
Dipole, Da:	6.02
IP(EA), eV:	-9.38(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1,2,3,3,3-hexafluoropropyl)-4,5-diphenyltriazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N(N=N2)C(C(C(F)(F)F)F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations