Geometry & MOs

Info

ID:	249502
PubChem CID:	103090056
Reduced:	OSC14H22 (1)
Stoich.:	ABC14D22 (1)
Weight, g/mol:	244.149701
ΔH_f, kcal/mol:	-62.26
Dipole, Da:	0.31
IP(EA), eV:	-8.49(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CC(CCCSC)O

DOS

IR

Vibrations