Geometry & MOs

Info

ID:	216430
PubChem CID:	85086227
Reduced:	PO6C10H21 (1)
Stoich.:	AB6C10D21 (1)
Weight, g/mol:	268.084792
ΔH_f, kcal/mol:	-361.78
Dipole, Da:	3.7
IP(EA), eV:	-10.51(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-cyano-6-methyl-2-oxo-3H-pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCOP(=O)(C(CCC(=O)O)C(C)O)OCC

DOS

IR

Vibrations