Geometry & MOs

Info

ID:	402149
PubChem CID:	135054642
Reduced:	ClN2O2H19C20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	334.250795
ΔH_f, kcal/mol:	27.38
Dipole, Da:	4.92
IP(EA), eV:	-8.28(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-(2-phenylpropan-2-ylperoxy)dodecan-3-one

Drug info:

PubChemData

Smile

C[C@H]1CC2=C([C@H]([C@@H]1[N+](=O)[O-])C3=CC=CC=C3Cl)C4=CC=CC=C4N2C

DOS

IR

Vibrations