Geometry & MOs

Info

ID:	293153
PubChem CID:	117375133
Reduced:	BrFO2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	247.98482
ΔH_f, kcal/mol:	-125.32
Dipole, Da:	2.61
IP(EA), eV:	-9.38(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-3-fluoro-2-methoxyphenyl)ethanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1Br)O)F)C(C)O

DOS

IR

Vibrations