Geometry & MOs

Info

ID:	387694
PubChem CID:	134986455
Reduced:	O4C9H12 (1)
Stoich.:	A4B9C12 (1)
Weight, g/mol:	296.163243
ΔH_f, kcal/mol:	-115.36
Dipole, Da:	4.25
IP(EA), eV:	-8.83(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1,1-bis(butylsulfanyl)ethyl]-4-methylbenzene

Drug info:

PubChemData

Smile

COC1C=CC(=O)C(=C1OC)OC

DOS

IR

Vibrations