Geometry & MOs

Info

ID:	372522
PubChem CID:	131299163
Reduced:	BrClNO2H7C8 (1)
Stoich.:	ABCD2E7F8 (1)
Weight, g/mol:	262.93487
ΔH_f, kcal/mol:	-73.98
Dipole, Da:	1.11
IP(EA), eV:	-8.95(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-4-bromo-5-chlorophenyl)acetic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1CC(=O)O)Br)Cl)N

DOS

IR

Vibrations