Geometry & MOs

Info

ID:	385879
PubChem CID:	134980217
Reduced:	SiO3C30H40 (1)
Stoich.:	AB3C30D40 (1)
Weight, g/mol:	324.245316
ΔH_f, kcal/mol:	-136.48
Dipole, Da:	1.79
IP(EA), eV:	-8.89(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4aR,8aS)-8-ethenyl-4,4,7,8a-tetramethyl-3-phenylmethoxy-1,2,3,4a,5,6-hexahydronaphthalene

Drug info:

PubChemData

Smile

C[C@H]1C=CC2=CCC[C@@H]([C@@H]2[C@H]1CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OCOC

DOS

IR

Vibrations