Geometry & MOs

Info

ID:	204896
PubChem CID:	80027337
Reduced:	OSC13H26 (1)
Stoich.:	ABC13D26 (1)
Weight, g/mol:	250.139137
ΔH_f, kcal/mol:	-69.68
Dipole, Da:	3.28
IP(EA), eV:	-8.6(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2-ethylphenoxy)methyl]cyclopentyl]methanethiol

Drug info:

PubChemData

Smile

CCCCCCCCOCC1(CC1)CS

DOS

IR

Vibrations