Geometry & MOs

Info

ID:

381609

PubChem CID:

134972398

Reduced:

N2O12H46C47 (1)

Stoich.:

A2B12C46D47 (1)

Weight, g/mol:

496.230847

ΔHf, kcal/mol:

-424.19

Dipole, Da:

5.34

IP(EA), eV:

 -8.87(-2.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-(3,3-dimethoxy-6-oxocyclohexa-1,4-dien-1-yl)-1,5-bis(methoxymethoxy)pentyl]-4,4-dimethoxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)OC(CCCC(C2=CC(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O)OC(=O)C5CCC(CC5)N)C6=CC(=C7C(=C6O)C(=O)C8=CC=CC=C8C7=O)O)N

DOS

IR

Vibrations