Geometry & MOs

Info

ID:	10557
PubChem CID:	104264
Reduced:	O8C11H22 (1)
Stoich.:	A8B11C22 (1)
Weight, g/mol:	282.131468
ΔH_f, kcal/mol:	-398.75
Dipole, Da:	4.49
IP(EA), eV:	-10.47(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-bis(hydroxymethyl)propane-1,3-diol;hexanedioic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations