Geometry & MOs

Info

ID:	45823
PubChem CID:	10517881
Reduced:	O5C16H22 (1)
Stoich.:	A5B16C22 (1)
Weight, g/mol:	294.204239
ΔH_f, kcal/mol:	-196.6
Dipole, Da:	4.28
IP(EA), eV:	-9.45(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-methylpropoxy]propan-1-ol

Drug info:

PubChemData

Smile

CC1(OC[C@H](O1)[C@H](/C=C(\CO)/OCC2=CC=CC=C2)O)C

DOS

IR

Vibrations