Geometry & MOs

Info

ID:

176947

PubChem CID:

76116383

Reduced:

N5O8C23H27 (1)

Stoich.:

A5B8C23D27 (1)

Weight, g/mol:

531.273321

ΔHf, kcal/mol:

-273.76

Dipole, Da:

3.72

IP(EA), eV:

 -9.28(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-[4-(2-ethylhexoxy)-6-oxocyclohexa-2,4-dien-1-ylidene]-6-(4-methoxyphenyl)-1,3,5-triazinan-2-ylidene]-3-methoxycyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCNC(=O)COC1=CC(=O)C(=C2NC(NC(=C3C=CC(=CC3=O)OCC(=O)NCO)N2)OC)C=C1

DOS

IR

Vibrations