Geometry & MOs

Info

ID:	399115
PubChem CID:	135037897
Reduced:	OSeSiC17H28 (1)
Stoich.:	ABCD17E28 (1)
Weight, g/mol:	172.109944
ΔH_f, kcal/mol:	-87.58
Dipole, Da:	1.74
IP(EA), eV:	-8.51(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1S,5R)-5-methyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]ethanol

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC(=C)CCC[Se]C1=CC=CC=C1

DOS

IR

Vibrations