Geometry & MOs

Info

ID:	292993
PubChem CID:	117369178
Reduced:	ClFO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	246.011743
ΔH_f, kcal/mol:	-173.22
Dipole, Da:	5.02
IP(EA), eV:	-9.72(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methylsulfonylphenyl)cyclopropan-1-ol

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1)Cl)F)C(C(=O)OC)O

DOS

IR

Vibrations