Geometry & MOs

Info

ID:

427473

PubChem CID:

135159228

Reduced:

O2N3C34H37 (1)

Stoich.:

A2B3C34D37 (1)

Weight, g/mol:

711.40763

ΔHf, kcal/mol:

7.87

Dipole, Da:

1.25

IP(EA), eV:

 -8.51(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(5-cyclohexa-1,3-dien-1-ylspiro[1,2-dihydroxanthene-9,9'-4a,6,7,9a-tetrahydroxanthene]-2'-yl)-9-cyclohex-3-en-1-yl-4,4a-dimethyl-2,3,4,9a-tetrahydro-1H-carbazole

Drug info:

PubChemData

Smile

CCCNC(C1=CC2=C(C=C1)C3(C4=C(O2)CC(C=C4)C5CCCCN5)C6=CC=CC=C6OC7=CC=CC=C37)N

DOS

IR

Vibrations