Geometry & MOs

Info

ID:	250798
PubChem CID:	103099147
Reduced:	BrON6C8H9 (1)
Stoich.:	ABC6D8E9 (1)
Weight, g/mol:	362.87895
ΔH_f, kcal/mol:	40.76
Dipole, Da:	7.71
IP(EA), eV:	-9.61(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-3-methylpyridine

Drug info:

PubChemData

Smile

CCC1=NC(=O)C=C(N1)N2C(=NC(=N2)N)Br

DOS

IR

Vibrations