Geometry & MOs

Info

ID:

89988

PubChem CID:

49965746

Reduced:

N3O3H23C25 (1)

Stoich.:

A3B3C23D25 (1)

Weight, g/mol:

589.278801

ΔHf, kcal/mol:

-15.36

Dipole, Da:

7.22

IP(EA), eV:

 -9.09(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (8E)-2-amino-3-cyano-4-(3-methoxy-4-propoxyphenyl)-8-[(3-methoxy-4-propoxyphenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1C/C(=C\C2=CC=CC=C2)/C3=C(C1)C(C(=C(O3)N)C#N)C4=CC=CC=C4

DOS

IR

Vibrations