Geometry & MOs

Info

ID:	45393
PubChem CID:	10512669
Reduced:	NO5C9H9 (1)
Stoich.:	AB5C9D9 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-123.81
Dipole, Da:	3.82
IP(EA), eV:	-9.13(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-(2-methylpropyl)-2-oxo-3,4-dihydropyridine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC2=C(OC(=C2O1)C(=O)OC)OC

DOS

IR

Vibrations