Geometry & MOs

Info

ID:	256958
PubChem CID:	103142708
Reduced:	BrClOC14H18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	256.103021
ΔH_f, kcal/mol:	-57.01
Dipole, Da:	4.47
IP(EA), eV:	-9.42(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-chloro-2-(3-fluorophenyl)propyl]-5-methyloxolane

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CBr)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations