Geometry & MOs

Info

ID:

302502

PubChem CID:

124361987

Reduced:

N4O5C28H32 (1)

Stoich.:

A4B5C28D32 (1)

Weight, g/mol:

377.199094

ΔHf, kcal/mol:

-154.51

Dipole, Da:

2.81

IP(EA), eV:

 -8.8(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,3aS,5aS,9bR)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5a,9-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione

Drug info:

PubChemData

Smile

CN1C(=O)C(C(=O)N(C1=O)C)(CC2=CC=C(C=C2)OCC=C)CN3C[C@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4

DOS

IR

Vibrations