Geometry & MOs

Info

ID:	231283
PubChem CID:	87573355
Reduced:	I3N3O9H16C17 (1)
Stoich.:	A3B3C9D16E17 (1)
Weight, g/mol:	234.146724
ΔH_f, kcal/mol:	-311.08
Dipole, Da:	6.97
IP(EA), eV:	-9.39(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroperoxy-3-hydroxypropyl) octanoate

Drug info:

PubChemData

Smile

C(COC=O)NC(=O)C1=C(C(=C(C(=C1I)NC=O)I)C(=O)NCC(CC(=O)O)C(=O)O)I

DOS

IR

Vibrations