Geometry & MOs

Info

ID:	144993
PubChem CID:	53446308
Reduced:	O8C13H24 (1)
Stoich.:	A8B13C24 (1)
Weight, g/mol:	700.58532
ΔH_f, kcal/mol:	-356.28
Dipole, Da:	7.74
IP(EA), eV:	-10.72(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-bis(hydroxymethyl)propane-1,3-diol;octadec-9-enoic acid

Drug info:

PubChemData

Smile

CC(=C)C(=O)O.CC(=C)C(=O)O.C(C(CO)(CO)CO)O

DOS

IR

Vibrations