Geometry & MOs

Info

ID:	256970
PubChem CID:	103142802
Reduced:	O3C16H24 (1)
Stoich.:	A3B16C24 (1)
Weight, g/mol:	284.117922
ΔH_f, kcal/mol:	-145.79
Dipole, Da:	1.35
IP(EA), eV:	-9.41(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations