Geometry & MOs

Info

ID:	227695
PubChem CID:	87562249
Reduced:	O2N4H16C17 (1)
Stoich.:	A2B4C16D17 (1)
Weight, g/mol:	952.867021
ΔH_f, kcal/mol:	25.21
Dipole, Da:	1.79
IP(EA), eV:	-8.53(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroxypropyl octadecanoate;2-octadecanoyloxyethyl octadecanoate

Drug info:

PubChemData

Smile

C1COCCN1C2=NC=C(C=C2)C3=NNC4=C3C=CC(=C4)C=O

DOS

IR

Vibrations