Geometry & MOs

Info

ID:	385841
PubChem CID:	134980127
Reduced:	SiO6C15H24 (1)
Stoich.:	AB6C15D24 (1)
Weight, g/mol:	194.13068
ΔH_f, kcal/mol:	-309.76
Dipole, Da:	7.72
IP(EA), eV:	-9.77(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,4aR,9aS)-4-methoxy-1,4,4a,6,7,8,9,9a-octahydrobenzo[7]annulen-5-one

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2[C@H]([C@@H](C=C(C2C(=O)OC)O[Si](C)(C)C)OC)C(=O)O1

DOS

IR

Vibrations