Geometry & MOs

Info

ID:	127648
PubChem CID:	51010073
Reduced:	SiO4C22H34 (1)
Stoich.:	AB4C22D34 (1)
Weight, g/mol:	356.162374
ΔH_f, kcal/mol:	-182.8
Dipole, Da:	3.5
IP(EA), eV:	-9.15(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R,6S,7S)-7-(3,4-dimethoxyphenyl)-3-methoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]oct-3-ene-2,8-dione

Drug info:

PubChemData

Smile

C[C@]12C[C@@H]([C@H]([C@](O1)(C=C2)C)OCC3=CC=CC=C3)OCOCC[Si](C)(C)C

DOS

IR

Vibrations