Geometry & MOs

Info

ID:

90013

PubChem CID:

49965814

Reduced:

N3O7C31H37 (1)

Stoich.:

A3B7C31D37 (1)

Weight, g/mol:

589.01874

ΔHf, kcal/mol:

-151.37

Dipole, Da:

8.17

IP(EA), eV:

 -8.48(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations