Geometry & MOs

Info

ID:	13548
PubChem CID:	245542
Reduced:	O2C21H37 (2)
Stoich.:	A2B21C37 (2)
Weight, g/mol:	642.558711
ΔH_f, kcal/mol:	-299.56
Dipole, Da:	2.72
IP(EA), eV:	-9.3(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-octadecanoyloxyphenyl) octadecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OC1=CC(=CC=C1)OC(=O)CCCCCCCCCCCCCCCCC

DOS

IR

Vibrations