Geometry & MOs

Info

ID:	205732
PubChem CID:	80147422
Reduced:	N2O2H14C17 (1)
Stoich.:	A2B2C14D17 (1)
Weight, g/mol:	241.96123
ΔH_f, kcal/mol:	-7.64
Dipole, Da:	3.96
IP(EA), eV:	-8.5(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-methyl-3-methylsulfonylbutan-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)NCC3=NC=C(C=C3)C(=O)O

DOS

IR

Vibrations