Geometry & MOs

Info

ID:	430391
PubChem CID:	135170455
Reduced:	N3F6H7C11 (1)
Stoich.:	A3B6C7D11 (1)
Weight, g/mol:	261.028059
ΔH_f, kcal/mol:	-243.17
Dipole, Da:	4.32
IP(EA), eV:	-10.35(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C(F)(F)F)C2=CC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations