Geometry & MOs

Info

ID:	380098
PubChem CID:	134964970
Reduced:	SO2N3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	0.75
Dipole, Da:	4.32
IP(EA), eV:	-9.37(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-5,5-dimethyl-8-phenyloct-1-en-4-one

Drug info:

PubChemData

Smile

C1C(CC2=CC=CC=C21)CS(=O)(=O)N=[N+]=[N-]

DOS

IR

Vibrations