Geometry & MOs

Info

ID:

311643

PubChem CID:

126596711

Reduced:

N2O8C29H36 (1)

Stoich.:

A2B8C29D36 (1)

Weight, g/mol:

553.179027

ΔHf, kcal/mol:

-321.42

Dipole, Da:

7.4

IP(EA), eV:

 -8.91(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-[2-cyano-6-(3,4-dihydrocarbazol-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-2(10),4(9),5,7,11,14(19),15,17-octaene-7-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C1CCN(CC1)CC2=CC(=C3C(=C2OC)CC4C[C@H]5CC(=O)C(=C([C@]5(C(=O)C4=C3O)O)O)C(=O)N)O

DOS

IR

Vibrations