Geometry & MOs

Info

ID:

427465

PubChem CID:

135159192

Reduced:

NO2C49H53 (1)

Stoich.:

AB2C49D53 (1)

Weight, g/mol:

681.36068

ΔHf, kcal/mol:

-1.13

Dipole, Da:

3.56

IP(EA), eV:

 -7.82(0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-phenyl-8-(3'-phenylspiro[4a,5,6,7,8,8a,9a,10a-octahydroxanthene-9,9'-xanthene]-3-yl)-1,2,3,4,4b,7,8,8a-octahydrocarbazole

Drug info:

PubChemData

Smile

C1CCC(=CC1)C2=CC3=C(C=C2)OC4=C(C35C6C=CC=CC6OC7C5=CCCC7)C=C(C=C4)C8CCCC9=C8C1=C(N9C2CCCC=C2)CCCC1

DOS

IR

Vibrations