Geometry & MOs

Info

ID:

385074

PubChem CID:

134978262

Reduced:

BrO2H8C11 (2)

Stoich.:

AB2C8D11 (2)

Weight, g/mol:

330.219495

ΔHf, kcal/mol:

-41.62

Dipole, Da:

6.81

IP(EA), eV:

 -9.07(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,3aS,5aS,6S,7S,9aS,9bS)-6-formyl-3a,6-dimethyl-7-prop-2-ynyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)O/C(=C/C1=CC=C(C=C1)Br)/C#C/C(=C\C2=CC=C(C=C2)Br)/OC(=O)C

DOS

IR

Vibrations