Geometry & MOs

Info

ID:

10429

PubChem CID:

101682

Reduced:

N2O3C21H22 (1)

Stoich.:

A2B3C21D22 (1)

Weight, g/mol:

350.163043

ΔHf, kcal/mol:

68.47

Dipole, Da:

5.72

IP(EA), eV:

 -8.8(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4aR,8S,13aS,15aS,15bR)-8-hydroxy-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

C1C=C2CN3C[C@H](C45C3C[C@@H]2[C@@H]6[C@@H]4N(C(=O)C[C@@H]6O1)C7=CC=CC=C57)O

DOS

IR

Vibrations