Geometry & MOs

Info

ID:	129310
PubChem CID:	51072231
Reduced:	ON3C8H13 (1)
Stoich.:	AB3C8D13 (1)
Weight, g/mol:	236.99016
ΔH_f, kcal/mol:	34.93
Dipole, Da:	3.88
IP(EA), eV:	-9.15(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-(3-methylphenyl)-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

CNCCC1=NOC(=N1)C2CC2

DOS

IR

Vibrations