Geometry & MOs

Info

ID:	313029
PubChem CID:	126610821
Reduced:	ClON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	450.298139
ΔH_f, kcal/mol:	-17.65
Dipole, Da:	5.08
IP(EA), eV:	-9.04(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-phenyl-1,3-dioxan-5-yl) 10,16-dihydroxyhexadecanoate

Drug info:

PubChemData

Smile

CCCCOCC1=CC2=CC(=CN=C2N1)Cl

DOS

IR

Vibrations