Geometry & MOs

Info

ID:	57291
PubChem CID:	22395598
Reduced:	NO11C35H55 (1)
Stoich.:	AB11C35D55 (1)
Weight, g/mol:	345.154943
ΔH_f, kcal/mol:	-425.64
Dipole, Da:	5.5
IP(EA), eV:	-8.57(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-acetyloxycarbonyl-3-hydroxy-5-octoxy-5-oxopentanoate

Drug info:

PubChemData

Smile

CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2.C1CCC(C(C1)C(=O)[O-])C(=O)OOOC(=O)C2CCCCC2C(=O)[O-]

DOS

IR

Vibrations