Geometry & MOs

Info

ID:	231476
PubChem CID:	87573833
Reduced:	O4C5H6 (1)
Stoich.:	A4B5C6 (1)
Weight, g/mol:	943.76281
ΔH_f, kcal/mol:	-167.81
Dipole, Da:	4.86
IP(EA), eV:	-11.36(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)-[5-(2,6-dibromo-4-nitrophenoxy)-2-methoxyphenyl]methanone;1,3-dibromo-2-(4-methoxyphenoxy)-5-nitrobenzene

Drug info:

PubChemData

Smile

C1C(C(=O)OC1=O)CO

DOS

IR

Vibrations