Geometry & MOs

Info

ID:	246159
PubChem CID:	103047613
Reduced:	ClFO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	244.066635
ΔH_f, kcal/mol:	-143.12
Dipole, Da:	2.84
IP(EA), eV:	-9.54(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-chloro-2-fluorophenyl)methyl]oxan-3-ol

Drug info:

PubChemData

Smile

C1CC(COC1)C(CC2=C(C=CC(=C2)Cl)F)O

DOS

IR

Vibrations