Geometry & MOs

Info

ID:	372958
PubChem CID:	131307562
Reduced:	BrClN2O3H4C7 (1)
Stoich.:	ABC2D3E4F7 (1)
Weight, g/mol:	261.93962
ΔH_f, kcal/mol:	-23.06
Dipole, Da:	6.82
IP(EA), eV:	-10.32(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-6-chloro-3-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1Cl)[N+](=O)[O-])C(=O)N)Br

DOS

IR

Vibrations