Geometry & MOs

Info

ID:	389851
PubChem CID:	134995579
Reduced:	SO5C12H18 (1)
Stoich.:	AB5C12D18 (1)
Weight, g/mol:	201.100108
ΔH_f, kcal/mol:	-135.79
Dipole, Da:	3.52
IP(EA), eV:	-9.2(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyl-1-nitropropan-2-yl)pentane-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1)OOCCOS(=O)(=O)C

DOS

IR

Vibrations