Geometry & MOs

Info

ID:	255989
PubChem CID:	103136128
Reduced:	O3C13H22 (1)
Stoich.:	A3B13C22 (1)
Weight, g/mol:	176.087101
ΔH_f, kcal/mol:	-169.24
Dipole, Da:	5.21
IP(EA), eV:	-9.82(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyloxolan-2-yl)methylsulfanyl]ethanol

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(C2CCCC2)C(=O)O

DOS

IR

Vibrations