Geometry & MOs

Info

ID:	146620
PubChem CID:	53718879
Reduced:	O4C13H22 (1)
Stoich.:	A4B13C22 (1)
Weight, g/mol:	388.297745
ΔH_f, kcal/mol:	-197.51
Dipole, Da:	5.73
IP(EA), eV:	-10.28(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-4-pentadecyl-2-phenyl-1,3-dioxan-5-one

Drug info:

PubChemData

Smile

CCCCCCC=CC(CC(=O)O)C(=O)OC

DOS

IR

Vibrations