Geometry & MOs

Info

ID:	399214
PubChem CID:	135038761
Reduced:	OSC11H20 (1)
Stoich.:	ABC11D20 (1)
Weight, g/mol:	222.089209
ΔH_f, kcal/mol:	-84.25
Dipole, Da:	3.33
IP(EA), eV:	-8.68(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] benzoate

Drug info:

PubChemData

Smile

CC1CCC2[C@@H](C1)OCSC2(C)C

DOS

IR

Vibrations