Geometry & MOs

Info

ID:	394122
PubChem CID:	135022384
Reduced:	NO2H15C18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	213.078979
ΔH_f, kcal/mol:	7.96
Dipole, Da:	4.28
IP(EA), eV:	-8.33(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1-oxidopyridin-1-ium-2-yl)phenyl]ethanone

Drug info:

PubChemData

Smile

COC1C2=C(/C(=C/C3=CC=CC=C3)/O1)NC4=CC=CC=C42

DOS

IR

Vibrations