Geometry & MOs

Info

ID:	408397
PubChem CID:	135081163
Reduced:	NO2F3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	188.104859
ΔH_f, kcal/mol:	-189.68
Dipole, Da:	3.29
IP(EA), eV:	-10.5(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-hydroxy-4,4-dimethyloxolane-2-carboxylate

Drug info:

PubChemData

Smile

C1[C@@H](N1C2=CC=C(C=C2)C(F)(F)F)C(=O)O

DOS

IR

Vibrations