Geometry & MOs

Info

ID:	11501
PubChem CID:	116425
Reduced:	O2C6H9 (2)
Stoich.:	A2B6C9 (2)
Weight, g/mol:	226.120509
ΔH_f, kcal/mol:	-167.1
Dipole, Da:	2.75
IP(EA), eV:	-8.63(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC(CO)(CO)CO

DOS

IR

Vibrations