Geometry & MOs

Info

ID:

90028

PubChem CID:

49965870

Reduced:

NO3C32H35 (1)

Stoich.:

AB3C32D35 (1)

Weight, g/mol:

593.23733

ΔHf, kcal/mol:

-41.83

Dipole, Da:

3.97

IP(EA), eV:

 -8.66(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(OC1=CC=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC=C(C=C3)OC(C)C)/CN(C2)CC4=CC=CC=C4)C

DOS

IR

Vibrations