Geometry & MOs

Info

ID:	55063
PubChem CID:	17389719
Reduced:	BrNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	210.067224
ΔH_f, kcal/mol:	-27.66
Dipole, Da:	2.6
IP(EA), eV:	-8.8(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methylphenyl)-1H-1,2,4-triazol-3-amine;hydrochloride

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)Br)C2CCCN2

DOS

IR

Vibrations