Geometry & MOs

Info

ID:	438432
PubChem CID:	135228173
Reduced:	FN4O5C26H29 (1)
Stoich.:	AB4C5D26E29 (1)
Weight, g/mol:	386.184172
ΔH_f, kcal/mol:	-132.64
Dipole, Da:	8.2
IP(EA), eV:	-8.26(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[(Z)-3-ethoxy-3-(6-oxo-1H-pyridin-2-yl)prop-2-enylidene]-1-(2-methoxyethyl)pyridine-2-carboxylate

Drug info:

PubChemData

Smile

COCCN1C(=CC=C(C2=CC=CC(=O)N2CCOC)O)C=CC=C1C(=O)NNC3=CC=C(C=C3)F

DOS

IR

Vibrations