Geometry & MOs

Info

ID:	22417
PubChem CID:	597174
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	251.152144
ΔH_f, kcal/mol:	-106.33
Dipole, Da:	8.18
IP(EA), eV:	-10.1(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-octyl-1-oxidopyridin-1-ium-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCC1=C[N+](=C(C=C1)C(=O)O)[O-]

DOS

IR

Vibrations