Geometry & MOs

Info

ID:	12977
PubChem CID:	219456
Reduced:	O2C21H44 (1)
Stoich.:	A2B21C44 (1)
Weight, g/mol:	328.334131
ΔH_f, kcal/mol:	-186.79
Dipole, Da:	4.02
IP(EA), eV:	-10.26(2.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-octadecylpropane-1,3-diol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCC(CO)CO

DOS

IR

Vibrations