Geometry & MOs

Info

ID:	150623
PubChem CID:	53790316
Reduced:	OSC15H22 (1)
Stoich.:	ABC15D22 (1)
Weight, g/mol:	111.063002
ΔH_f, kcal/mol:	-33.23
Dipole, Da:	1.96
IP(EA), eV:	-8.88(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCCC(C)(C)C(=S)OC1=CC=CC=C1

DOS

IR

Vibrations