Geometry & MOs

Info

ID:	250793
PubChem CID:	103099093
Reduced:	BrN6H7C9 (1)
Stoich.:	AB6C7D9 (1)
Weight, g/mol:	303.01196
ΔH_f, kcal/mol:	106.37
Dipole, Da:	2.86
IP(EA), eV:	-9.18(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(2-methylquinolin-4-yl)-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)N2C(=NC(=N2)N)Br)C#N

DOS

IR

Vibrations