Geometry & MOs

Info

ID:	44201
PubChem CID:	10501997
Reduced:	NO2Br3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	415.065844
ΔH_f, kcal/mol:	9.27
Dipole, Da:	4.89
IP(EA), eV:	-10.59(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chlorophenyl)-3-(2-phenyl-1,8-naphthyridin-3-yl)-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(CBr)(CBr)CBr)[N+](=O)[O-]

DOS

IR

Vibrations