Geometry & MOs

Info

ID:

89974

PubChem CID:

49965699

Reduced:

N2O7C33H40 (1)

Stoich.:

A2B7C33D40 (1)

Weight, g/mol:

485.267842

ΔHf, kcal/mol:

-185.26

Dipole, Da:

1.66

IP(EA), eV:

 -7.88(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8E)-2-amino-6-ethyl-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

CC(C)(C)C1C/C(=C\C2=CC(=C(C=C2OC)OC)OC)/C3=C(C1)C(C(=C(O3)N)C#N)C4=CC(=C(C=C4OC)OC)OC

DOS

IR

Vibrations