Geometry & MOs

Info

ID:	19310
PubChem CID:	560775
Reduced:	ON4F6H14C23 (1)
Stoich.:	AB4C6D14E23 (1)
Weight, g/mol:	476.10718
ΔH_f, kcal/mol:	-222.48
Dipole, Da:	1.88
IP(EA), eV:	-8.97(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,5-bis(trifluoromethyl)phenyl]-N,5-diphenyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N=NN2C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations