Geometry & MOs

Info

ID:	52282
PubChem CID:	12015100
Reduced:	NO5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	359.136887
ΔH_f, kcal/mol:	-191.19
Dipole, Da:	1.74
IP(EA), eV:	-9.23(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 4-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethyl-1H-pyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(C(=C1C2=CC(=CC=C2)O)C(=O)OCC)C)C

DOS

IR

Vibrations