Geometry & MOs

Info

ID:	204888
PubChem CID:	80026743
Reduced:	OSC8H18 (1)
Stoich.:	ABC8D18 (1)
Weight, g/mol:	244.186087
ΔH_f, kcal/mol:	-78.02
Dipole, Da:	3.39
IP(EA), eV:	-8.73(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(heptoxymethyl)cyclopentyl]methanethiol

Drug info:

PubChemData

Smile

CC(C)OCC(C)(C)CS

DOS

IR

Vibrations