Geometry & MOs

Info

ID:	339743
PubChem CID:	127261745
Reduced:	SN2O4C11H14 (1)
Stoich.:	AB2C4D11E14 (1)
Weight, g/mol:	309.074956
ΔH_f, kcal/mol:	-104.22
Dipole, Da:	5.5
IP(EA), eV:	-9.79(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-nitroimidazo[1,2-a]pyridine

Drug info:

PubChemData

Smile

C1CC/C(=N/OS(=O)(=O)O)/C(C1)C2=CC=CC=N2

DOS

IR

Vibrations