Geometry & MOs

Info

ID:	147249
PubChem CID:	53786903
Reduced:	BrNC19H32 (1)
Stoich.:	ABC19D32 (1)
Weight, g/mol:	185.048821
ΔH_f, kcal/mol:	-44.27
Dipole, Da:	3.57
IP(EA), eV:	-9.71(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluoro-4-hydroxyanilino)acetic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC1=C(N=CC=C1)Br

DOS

IR

Vibrations