Geometry & MOs

Info

ID:	159589
PubChem CID:	57288498
Reduced:	OC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	200.042649
ΔH_f, kcal/mol:	-67.39
Dipole, Da:	5.74
IP(EA), eV:	-9.6(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chlorophenyl)butane-2-thiol

Drug info:

PubChemData

Smile

CC(=O)C1=C(CCC=CCC1)C(=O)C

DOS

IR

Vibrations