Geometry & MOs

Info

ID:	430617
PubChem CID:	135170683
Reduced:	NO3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	207.056325
ΔH_f, kcal/mol:	-87.71
Dipole, Da:	2.8
IP(EA), eV:	-10.17(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3,5-dimethyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(C)(C)C(=O)OC

DOS

IR

Vibrations