Geometry & MOs

Info

ID:

377127

PubChem CID:

134223165

Reduced:

O10C33H34 (1)

Stoich.:

A10B33C34 (1)

Weight, g/mol:

682.340673

ΔHf, kcal/mol:

-348.58

Dipole, Da:

3.88

IP(EA), eV:

 -8.74(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-(4-butylphenyl)ethynyl]-2-[(E)-(2,3-dihydro-1H-inden-2-ylhydrazinylidene)methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate

Drug info:

PubChemData

Smile

CCC(=O)OCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCCOC(=O)C=C)C

DOS

IR

Vibrations