Geometry & MOs

Info

ID:

427466

PubChem CID:

135159193

Reduced:

NO2H47C49 (1)

Stoich.:

AB2C47D49 (1)

Weight, g/mol:

513.266779

ΔHf, kcal/mol:

106.58

Dipole, Da:

1.14

IP(EA), eV:

 -8.08(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(3'-cyclohexa-1,3-dien-1-ylspiro[3,4,4a,8a,9a,10a-hexahydroxanthene-9,9'-xanthene]-3-yl)-1,2,3,6-tetrahydropyridine

Drug info:

PubChemData

Smile

C1CCC2C(C1)C3(C4C=CC(=CC4O2)C5CC=CC6C5N(C7=C6CCCC7)C8=CC=CC=C8)C9=C(C=C(C=C9)C1=CC=CC=C1)OC1=CC=CC=C31

DOS

IR

Vibrations