Geometry & MOs

Info

ID:

90006

PubChem CID:

49965786

Reduced:

NO9C28H33 (1)

Stoich.:

AB9C28D33 (1)

Weight, g/mol:

673.42032

ΔHf, kcal/mol:

-280.64

Dipole, Da:

4.66

IP(EA), eV:

 -8.1(-0.71)

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-propyl-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)/C(=O)/C(=C/C3=CC(=C(C=C3OC)OC)OC)/C1

DOS

IR

Vibrations