Geometry & MOs

Info

ID:	200789
PubChem CID:	79444745
Reduced:	ClFOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	220.113316
ΔH_f, kcal/mol:	-101.99
Dipole, Da:	2.57
IP(EA), eV:	-9.91(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butan-2-yl-2-methylsulfonylcyclopentan-1-ol

Drug info:

PubChemData

Smile

CCC(C)C(C1=C(C=CC=C1Cl)F)O

DOS

IR

Vibrations