Geometry & MOs

Info

ID:	430388
PubChem CID:	135170452
Reduced:	NOC12H13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	227.067032
ΔH_f, kcal/mol:	26.11
Dipole, Da:	3.25
IP(EA), eV:	-9.63(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(C)C2=CC=CC=C2

DOS

IR

Vibrations