Geometry & MOs

Info

ID:	294576
PubChem CID:	117471380
Reduced:	BrFNO3C10H11 (1)
Stoich.:	ABCD3E10F11 (1)
Weight, g/mol:	290.99063
ΔH_f, kcal/mol:	-159.46
Dipole, Da:	4.52
IP(EA), eV:	-9.73(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-(3-bromo-2-fluoro-6-hydroxyphenyl)butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=C1C(CN)C(=O)O)O)F)Br

DOS

IR

Vibrations