Geometry & MOs

Info

ID:	37542
PubChem CID:	8022051
Reduced:	BrClN2O4H10C16 (1)
Stoich.:	ABC2D4E10F16 (1)
Weight, g/mol:	363.99464
ΔH_f, kcal/mol:	-71.25
Dipole, Da:	2.86
IP(EA), eV:	-9.58(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxyphenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NN=C(O2)COC(=O)C3=C(C=CC(=C3)Br)O)Cl

DOS

IR

Vibrations