Geometry & MOs

Info

ID:	148557
PubChem CID:	53788224
Reduced:	NOH9C13 (1)
Stoich.:	ABC9D13 (1)
Weight, g/mol:	163.085795
ΔH_f, kcal/mol:	84.0
Dipole, Da:	8.5
IP(EA), eV:	-8.06(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-(1-methylimidazol-4-yl)-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

C1=CC2=CNC=CC3=C2C(=C1)C(=O)C=C3

DOS

IR

Vibrations