Geometry & MOs

Info

ID:	402786
PubChem CID:	135057280
Reduced:	OC13H20 (1)
Stoich.:	AB13C20 (1)
Weight, g/mol:	228.136159
ΔH_f, kcal/mol:	-40.29
Dipole, Da:	1.41
IP(EA), eV:	-8.72(1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-4-ethenyl-2-ethyl-2-hydroxy-4-methyloxolane-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C2[C@@H](CC1)C(OC[C@@H]3[C@H]2C3)(C)C

DOS

IR

Vibrations