Geometry & MOs

Info

ID:	262718
PubChem CID:	103311074
Reduced:	ClNOF6C9H12 (1)
Stoich.:	ABCD6E9F12 (1)
Weight, g/mol:	295.054416
ΔH_f, kcal/mol:	-399.32
Dipole, Da:	2.65
IP(EA), eV:	-10.71(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-phenyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC(CCl)C(C)NC(=O)C(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations