Geometry & MOs

Info

ID:	430565
PubChem CID:	135170631
Reduced:	ClNOC7H8 (1)
Stoich.:	ABCD7E8 (1)
Weight, g/mol:	249.103275
ΔH_f, kcal/mol:	16.85
Dipole, Da:	1.94
IP(EA), eV:	-10.16(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C2(CC2)Cl

DOS

IR

Vibrations