Geometry & MOs

Info

ID:	20504
PubChem CID:	584344
Reduced:	NO3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	195.089543
ΔH_f, kcal/mol:	-86.75
Dipole, Da:	8.06
IP(EA), eV:	-10.1(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=C[N+](=C(C=C1)C(=O)O)[O-]

DOS

IR

Vibrations