Geometry & MOs

Info

ID:	200021
PubChem CID:	79333268
Reduced:	BrO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	258.00556
ΔH_f, kcal/mol:	-51.94
Dipole, Da:	2.9
IP(EA), eV:	-8.97(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-5-fluorophenyl)-2-ethylcyclopropan-1-ol

Drug info:

PubChemData

Smile

CCC1CC1(C2=CC(=C(C=C2)OC)Br)O

DOS

IR

Vibrations