Geometry & MOs

Info

ID:	201216
PubChem CID:	79508111
Reduced:	ON2F3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	262.023308
ΔH_f, kcal/mol:	-168.34
Dipole, Da:	4.75
IP(EA), eV:	-8.76(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-chloro-2-(trifluoromethyl)phenyl]triazol-4-amine

Drug info:

PubChemData

Smile

C1CC(=NC1)NC2=CC(=CC=C2)OC(F)(F)F

DOS

IR

Vibrations