Geometry & MOs

Info

ID:	11749
PubChem CID:	120390
Reduced:	ClO4C11H15 (1)
Stoich.:	AB4C11D15 (1)
Weight, g/mol:	246.065887
ΔH_f, kcal/mol:	-169.87
Dipole, Da:	3.17
IP(EA), eV:	-9.09(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenoxy)methyl]-2-(hydroxymethyl)propane-1,3-diol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCC(CO)(CO)CO)Cl

DOS

IR

Vibrations