Geometry & MOs

Info

ID:	371839
PubChem CID:	131274450
Reduced:	ClOBr2H7C8 (1)
Stoich.:	ABC2D7E8 (1)
Weight, g/mol:	273.95892
ΔH_f, kcal/mol:	-20.7
Dipole, Da:	0.86
IP(EA), eV:	-9.54(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-3-bromo-6-nitrophenyl)acetic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1Cl)Br)CBr

DOS

IR

Vibrations