Geometry & MOs

Info

ID:	150350
PubChem CID:	53790038
Reduced:	NO6C12H13 (1)
Stoich.:	AB6C12D13 (1)
Weight, g/mol:	215.058243
ΔH_f, kcal/mol:	-135.15
Dipole, Da:	2.87
IP(EA), eV:	-9.66(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-oxidopyridin-1-ium-2-yl)benzoic acid

Drug info:

PubChemData

Smile

CC(=CC1=CC(=C(C=C1)OCC(=O)O)OC)[N+](=O)[O-]

DOS

IR

Vibrations