Geometry & MOs

Info

ID:	22485
PubChem CID:	597364
Reduced:	OS2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	254.079908
ΔH_f, kcal/mol:	-40.87
Dipole, Da:	0.54
IP(EA), eV:	-8.52(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(3-methylbutoxy)-1,3-benzodithiole

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)SC(S2)OCCC(C)C

DOS

IR

Vibrations