Geometry & MOs

Info

ID:	20507
PubChem CID:	584357
Reduced:	NO2C5H5 (2)
Stoich.:	AB2C5D5 (2)
Weight, g/mol:	222.064057
ΔH_f, kcal/mol:	-127.19
Dipole, Da:	8.43
IP(EA), eV:	-9.91(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxyethyl 3-cyano-6-methyl-2-oxo-1H-pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)C#N)C(=O)OCCO

DOS

IR

Vibrations