Geometry & MOs

Info

ID:	390349
PubChem CID:	134998616
Reduced:	SiN2O2C24H39 (1)
Stoich.:	AB2C2D24E39 (1)
Weight, g/mol:	259.88706
ΔH_f, kcal/mol:	-118.84
Dipole, Da:	2.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.984319
Charge, e:	0

Chem-info

IUPAC name:

1,1-dibromo-5-hydroxypentan-2-one

Drug info:

PubChemData

Smile

CCCCCCCCC(CO[Si](C)(C)C)OC[N+]1=CC=CC=C1C2=CC=CC=N2

DOS

IR

Vibrations