Geometry & MOs

Info

ID:	394582
PubChem CID:	135023256
Reduced:	O3C16H22 (2)
Stoich.:	A3B16C22 (2)
Weight, g/mol:	332.217157
ΔH_f, kcal/mol:	-273.35
Dipole, Da:	3.43
IP(EA), eV:	-9.18(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[tert-butyl(dimethyl)silyl]oxy-2,3,5,5a,6,7,8,9-octahydro-1H-benzo[g]azulen-4-one

Drug info:

PubChemData

Smile

CCCCCCCCC(=O)C1=C2[C@@H]([C@@H]([C@@]3(C4=C(CO3)C(=CC=C4)O)OC2=CC(=C1)O)CCCCCCC)O

DOS

IR

Vibrations