Geometry & MOs

Info

ID:

3430

PubChem CID:

9649

Reduced:

N2O4C23H26 (1)

Stoich.:

A2B4C23D26 (1)

Weight, g/mol:

394.189257

ΔHf, kcal/mol:

-110.36

Dipole, Da:

4.68

IP(EA), eV:

 -7.95(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4aR,5aS,8aR,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7C4N2C(=O)CC7OCC=C6C5)OC

DOS

IR

Vibrations