Geometry & MOs

Info

ID:

89971

PubChem CID:

49965681

Reduced:

ON3Cl4H17C23 (1)

Stoich.:

AB3C4D17E23 (1)

Weight, g/mol:

547.283492

ΔHf, kcal/mol:

45.87

Dipole, Da:

7.1

IP(EA), eV:

 -8.92(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C/C(=C\C2=C(C=CC=C2Cl)Cl)/C3=C(C1)C(C(=C(O3)N)C#N)C4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations