Geometry & MOs

Info

ID:

311712

PubChem CID:

126596904

Reduced:

O2N3H21C38 (1)

Stoich.:

A2B3C21D38 (1)

Weight, g/mol:

565.298079

ΔHf, kcal/mol:

223.93

Dipole, Da:

4.13

IP(EA), eV:

 -8.59(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-(8-ethyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)phenyl]-5a,11a-dimethyl-7a,7b,12a,12b-tetrahydro-[1]benzofuro[3,2-c]carbazole

Drug info:

PubChemData

Smile

C1C(C=CC2=C1C3=C(O2)C=CC4=C3C5=C(O4)C=CC(=C5)C6=C(C=CC=C6N7C8=CC=CC=C8C9=CC=CC=C97)C#N)C#N

DOS

IR

Vibrations