Geometry & MOs

Info

ID:

89973

PubChem CID:

49965697

Reduced:

ON3Cl4H21C29 (1)

Stoich.:

AB3C4D21E29 (1)

Weight, g/mol:

576.283552

ΔHf, kcal/mol:

72.08

Dipole, Da:

6.72

IP(EA), eV:

 -8.9(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8E)-2-amino-6-tert-butyl-4-(2,4,5-trimethoxyphenyl)-8-[(2,4,5-trimethoxyphenyl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile

Drug info:

PubChemData

Smile

C1/C(=C\C2=C(C=CC=C2Cl)Cl)/C3=C(CN1CC4=CC=CC=C4)C(C(=C(O3)N)C#N)C5=C(C=CC=C5Cl)Cl

DOS

IR

Vibrations