Geometry & MOs

Info

ID:

90012

PubChem CID:

49965811

Reduced:

NO8C27H31 (1)

Stoich.:

AB8C27D31 (1)

Weight, g/mol:

563.263151

ΔHf, kcal/mol:

-234.88

Dipole, Da:

4.09

IP(EA), eV:

 -7.79(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=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