Geometry & MOs

Info

ID:	49061
PubChem CID:	11528666
Reduced:	O2C6H7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-153.06
Dipole, Da:	9.02
IP(EA), eV:	-9.64(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,5R)-5-(4-ethylphenyl)-2-(hydroxymethyl)oxolan-3-ol

Drug info:

PubChemData

Smile

CC(=CCOC1=CC(=C(C=C1)C(=O)O)O)C

DOS

IR

Vibrations