Geometry & MOs

Info

ID:	256969
PubChem CID:	103142797
Reduced:	O3C16H24 (1)
Stoich.:	A3B16C24 (1)
Weight, g/mol:	264.172545
ΔH_f, kcal/mol:	-144.77
Dipole, Da:	2.04
IP(EA), eV:	-9.08(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations