Geometry & MOs

Info

ID:

435529

PubChem CID:

135191729

Reduced:

ON2H44C56 (1)

Stoich.:

AB2C44D56 (1)

Weight, g/mol:

616.533165

ΔHf, kcal/mol:

269.89

Dipole, Da:

0.67

IP(EA), eV:

 -7.85(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5aR)-6-[(9aR)-9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-2-yl]-5-cyclohexyl-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydro-[1]benzofuro[3,2-c]carbazole

Drug info:

PubChemData

Smile

CC1CC=CC2=C1C3=C(C=C4C5=CC=CC=C5OC4=C3N2C6=CC=CC=C6)C7=CC8=C(C8C9C=CC(=CC9C)N(C1=CC=CC=C1)C1=C2C=CC=CC2=CCC=C1)C=C7

DOS

IR

Vibrations