Geometry & MOs

Info

ID:

89998

PubChem CID:

49965773

Reduced:

N5O7C37H47 (1)

Stoich.:

A5B7C37D47 (1)

Weight, g/mol:

645.38902

ΔHf, kcal/mol:

-149.91

Dipole, Da:

6.09

IP(EA), eV:

 -8.44(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8E)-2-amino-4-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-8-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CN1C/C(=C\C2=CC(=C(C=C2)OCCN3CCOCC3)OC)/C4=C(C1)C(C(=C(O4)N)C#N)C5=CC(=C(C=C5)OCCN6CCOCC6)OC

DOS

IR

Vibrations