Geometry & MOs

Info

ID:	47729
PubChem CID:	10534952
Reduced:	O2C9H18 (1)
Stoich.:	A2B9C18 (1)
Weight, g/mol:	158.076536
ΔH_f, kcal/mol:	-92.91
Dipole, Da:	0.77
IP(EA), eV:	-9.78(1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-3-methyl-2-(2-methylpropylidene)thietan-3-ol

Drug info:

PubChemData

Smile

CC(C)(CC=C)OCCOC

DOS

IR

Vibrations