Geometry & MOs

Info

ID:	256968
PubChem CID:	103142795
Reduced:	O3C15H22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	264.172545
ΔH_f, kcal/mol:	-135.48
Dipole, Da:	1.31
IP(EA), eV:	-9.53(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyloxolan-2-yl)methyl]-2-(4-methylphenyl)propane-1,3-diol

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CO)(CO)C2=CC=CC=C2

DOS

IR

Vibrations