Geometry & MOs

Info

ID:	430392
PubChem CID:	135170456
Reduced:	ClF3N3H7C10 (1)
Stoich.:	AB3C3D7E10 (1)
Weight, g/mol:	261.028059
ΔH_f, kcal/mol:	-91.65
Dipole, Da:	2.4
IP(EA), eV:	-9.94(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations