Geometry & MOs

Info

ID:	335451
PubChem CID:	127254313
Reduced:	N3O4C11H13 (1)
Stoich.:	A3B4C11D13 (1)
Weight, g/mol:	211.94644
ΔH_f, kcal/mol:	-127.16
Dipole, Da:	9.51
IP(EA), eV:	-9.48(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-methyl-1,2,4-triazol-3-amine;hydrochloride

Drug info:

PubChemData

Smile

CNCC1=CNC2=C1C=CC=N2.C(=O)(C(=O)O)O

DOS

IR

Vibrations