Geometry & MOs

Info

ID:	390923
PubChem CID:	135001597
Reduced:	NC2O2H3 (1)
Stoich.:	AB2C2D3 (1)
Weight, g/mol:	476.109877
ΔH_f, kcal/mol:	21.47
Dipole, Da:	4.5
IP(EA), eV:	-8.8(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 1-[(E)-(4-chlorophenyl)methylideneamino]-5-cyano-4-[(2-ethoxy-2-oxoethyl)amino]-6-oxo-2,5-dihydropyridine-2,3-dicarboxylate

Drug info:

PubChemData

Smile

CC(=O)O[N]

DOS

IR

Vibrations