Geometry & MOs

Info

ID:

90007

PubChem CID:

49965793

Reduced:

N5O5C39H55 (1)

Stoich.:

A5B5C39D55 (1)

Weight, g/mol:

673.42032

ΔHf, kcal/mol:

-99.75

Dipole, Da:

6.34

IP(EA), eV:

 -8.3(-0.35)

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-propan-2-yl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCCN1C/C(=C\C2=CC(=C(C=C2)OCCN(CC)CC)OC)/C3=C(C1)C(C(=C(O3)N)C#N)C4=CC(=C(C=C4)OCCN(CC)CC)OC

DOS

IR

Vibrations