Geometry & MOs

Info

ID:	250743
PubChem CID:	103098745
Reduced:	BrN7C8H12 (1)
Stoich.:	AB7C8D12 (1)
Weight, g/mol:	317.02761
ΔH_f, kcal/mol:	79.25
Dipole, Da:	4.5
IP(EA), eV:	-8.88(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C(=NC=N1)CN2C(=NC(=N2)N)Br

DOS

IR

Vibrations