Geometry & MOs

Info

ID:	287126
PubChem CID:	104233719
Reduced:	BrFOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	255.127072
ΔH_f, kcal/mol:	-75.15
Dipole, Da:	1.6
IP(EA), eV:	-9.55(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-(2-fluoro-6-methoxyphenyl)-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(CBr)C1=C(C=CC=C1F)OC

DOS

IR

Vibrations