Geometry & MOs

Info

ID:	129312
PubChem CID:	51072234
Reduced:	BrON2C3H3 (1)
Stoich.:	ABC2D3E3 (1)
Weight, g/mol:	133.004289
ΔH_f, kcal/mol:	14.72
Dipole, Da:	2.58
IP(EA), eV:	-10.63(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methyl-1H-1,2,4-triazol-3-one

Drug info:

PubChemData

Smile

CC1=NC(=NO1)Br

DOS

IR

Vibrations