Geometry & MOs

Info

ID:	1025
PubChem CID:	3681
Reduced:	O3C21H44 (1)
Stoich.:	A3B21C44 (1)
Weight, g/mol:	344.329045
ΔH_f, kcal/mol:	-223.08
Dipole, Da:	2.9
IP(EA), eV:	-9.89(1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-octadecoxypropane-1,2-diol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOCC(CO)O

DOS

IR

Vibrations