Geometry & MOs

Info

ID:	372521
PubChem CID:	131299153
Reduced:	OF2N2C10H10 (1)
Stoich.:	AB2C2D10E10 (1)
Weight, g/mol:	262.93487
ΔH_f, kcal/mol:	-100.49
Dipole, Da:	2.7
IP(EA), eV:	-9.52(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-amino-2-bromo-3-chlorophenyl)acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)C(CC(C#N)N)(F)F

DOS

IR

Vibrations