Geometry & MOs

Info

ID:	215821
PubChem CID:	85085299
Reduced:	OC11H12 (1)
Stoich.:	AB11C12 (1)
Weight, g/mol:	160.092186
ΔH_f, kcal/mol:	0.12
Dipole, Da:	2.72
IP(EA), eV:	-9.43(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butylthiolan-3-ol

Drug info:

PubChemData

Smile

CC1CC2C(O2)C3=CC=CC=C13

DOS

IR

Vibrations