Geometry & MOs

Info

ID:	386491
PubChem CID:	134981920
Reduced:	OC10H15 (2)
Stoich.:	AB10C15 (2)
Weight, g/mol:	562.387363
ΔH_f, kcal/mol:	-106.44
Dipole, Da:	2.73
IP(EA), eV:	-9.46(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,3aR,6aS)-5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]methyl]-2-(oxan-2-yloxy)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]oxy-tert-butyl-dimethylsilane

Drug info:

PubChemData

Smile

CCCCCCCCC(CC(=C)C1=CC=CC=C1)OC(=O)C

DOS

IR

Vibrations