Geometry & MOs

Info

ID:	179171
PubChem CID:	76445471
Reduced:	ISO3N5H22C26 (1)
Stoich.:	ABC3D5E22F26 (1)
Weight, g/mol:	278.014432
ΔH_f, kcal/mol:	95.81
Dipole, Da:	7.39
IP(EA), eV:	-8.8(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]hept-2-ene;dihydrochloride

Drug info:

PubChemData

Smile

CS(=O)(=O)N(CC1=CN(N=N1)CC2C=C3C=CC=CC3=NC2=C4C=CC=CC4=O)C5=CC=CC=C5I

DOS

IR

Vibrations