Geometry & MOs

Info

ID:	205006
PubChem CID:	80042116
Reduced:	OF4H10C13 (1)
Stoich.:	AB4C10D13 (1)
Weight, g/mol:	246.052859
ΔH_f, kcal/mol:	-210.22
Dipole, Da:	2.55
IP(EA), eV:	-10.15(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

C1CC=C(C1)C(=O)C2=C(C=CC(=C2)C(F)(F)F)F

DOS

IR

Vibrations