Geometry & MOs

Info

ID:	374582
PubChem CID:	131331779
Reduced:	BrClNH3O3C6 (1)
Stoich.:	ABCD3E3F6 (1)
Weight, g/mol:	250.89848
ΔH_f, kcal/mol:	-27.94
Dipole, Da:	4.26
IP(EA), eV:	-9.86(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-chloro-3-nitrophenol

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1O)Cl)[N+](=O)[O-])Br

DOS

IR

Vibrations