Geometry & MOs

Info

ID:

214931

PubChem CID:

85083870

Reduced:

PO3Si3C35H59 (1)

Stoich.:

AB3C3D35E59 (1)

Weight, g/mol:

641.90229

ΔHf, kcal/mol:

-294.91

Dipole, Da:

2.17

IP(EA), eV:

 -8.61(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

6-(4-hydroxybenzoyl)-1,3-bis(iodomethyl)-5-(4-oxocyclohexa-2,5-dien-1-ylidene)pyrrolo[2,3-d]pyrimidin-7-ium-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1CC(=CCP(C2=CC=CC=C2)C3=CC=CC=C3)CC(C1O[Si](C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations