Geometry & MOs

Info

ID:

427520

PubChem CID:

135159527

Reduced:

N2O2H32C47 (1)

Stoich.:

A2B2C32D47 (1)

Weight, g/mol:

672.277678

ΔHf, kcal/mol:

130.05

Dipole, Da:

2.65

IP(EA), eV:

 -8.16(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-cyclohexa-2,4-dien-1-yl-1-methyl-5-[3'-(1H-pyrrol-2-yl)-9,9'-spirobi[xanthene]-3-yl]-1,2-dihydrocarbazole

Drug info:

PubChemData

Smile

C1CC(=CC=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6(C7=C(C=C(C=C7)C8=CC=CN8)OC9=CC=CC=C96)C1=CC=CC=C1O5)C1=CC=CC=C12

DOS

IR

Vibrations