Geometry & MOs

Info

ID:	371875
PubChem CID:	131276600
Reduced:	BrFN2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	212.084872
ΔH_f, kcal/mol:	-27.73
Dipole, Da:	2.41
IP(EA), eV:	-8.48(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-fluoro-5-hydroxy-4-methylphenyl)propanoate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC(=CC(=C2)CBr)F

DOS

IR

Vibrations