Geometry & MOs

Info

ID:	411359
PubChem CID:	135084182
Reduced:	O5C11H16 (1)
Stoich.:	A5B11C16 (1)
Weight, g/mol:	213.078979
ΔH_f, kcal/mol:	-208.54
Dipole, Da:	2.79
IP(EA), eV:	-9.73(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-oxidopyridin-1-ium-4-yl)phenyl]ethanone

Drug info:

PubChemData

Smile

CCOC1C[C@@H](C(=CO1)C(=O)OC)CC=O

DOS

IR

Vibrations