Geometry & MOs

Info

ID:	405840
PubChem CID:	135075602
Reduced:	O2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	226.120509
ΔH_f, kcal/mol:	-40.21
Dipole, Da:	1.0
IP(EA), eV:	-10.08(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R,4S)-4-methyl-2-oxo-3-propan-2-yl-3,4-dihydropyran-6-carboxylate

Drug info:

PubChemData

Smile

CC1([C@H](O1)[C@H]2[C@@H](O2)C(=C)C3CCCC3)C

DOS

IR

Vibrations