Geometry & MOs

Info

ID:	250781
PubChem CID:	103099004
Reduced:	BrON6C8H9 (1)
Stoich.:	ABC6D8E9 (1)
Weight, g/mol:	288.99631
ΔH_f, kcal/mol:	44.37
Dipole, Da:	5.82
IP(EA), eV:	-8.67(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-isoquinolin-1-yl-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CCN1C=CN=C(C1=O)N2C(=NC(=N2)N)Br

DOS

IR

Vibrations