Geometry & MOs

Info

ID:

90039

PubChem CID:

49965903

Reduced:

N3O9C31H35 (1)

Stoich.:

A3B9C31D35 (1)

Weight, g/mol:

611.263151

ΔHf, kcal/mol:

-247.62

Dipole, Da:

3.73

IP(EA), eV:

 -8.2(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)N1C/C(=C\C2=CC(=C(C=C2OC)OC)OC)/C3=C(C1)C(C(=C(O3)N)C#N)C4=CC(=C(C=C4OC)OC)OC

DOS

IR

Vibrations