Geometry & MOs

Info

ID:	405499
PubChem CID:	135074178
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	329.098669
ΔH_f, kcal/mol:	-142.16
Dipole, Da:	8.3
IP(EA), eV:	-9.89(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-phenyl-3-thiophen-3-ylpyridin-2-yl)-pyridin-1-ium-1-ylazanide

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(/C)\NC(=O)C1=CC=CC=N1)/C(=O)C

DOS

IR

Vibrations