Geometry & MOs

Info

ID:	291798
PubChem CID:	113531975
Reduced:	NOCl3H10C13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	331.00554
ΔH_f, kcal/mol:	-7.96
Dipole, Da:	4.57
IP(EA), eV:	-9.51(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-bromo-2-(2-hydroxy-2-methylpropoxy)-3-nitrophenyl]ethanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COCC2=CN=C(C=C2Cl)Cl)Cl

DOS

IR

Vibrations