Geometry & MOs

Info

ID:	372164
PubChem CID:	131294001
Reduced:	ClO2N4C9H9 (1)
Stoich.:	AB2C4D9E9 (1)
Weight, g/mol:	323.88197
ΔH_f, kcal/mol:	-1.22
Dipole, Da:	1.83
IP(EA), eV:	-9.88(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN=C(C=C1Cl)C2=NN=C(O2)C(CN)O

DOS

IR

Vibrations