Geometry & MOs

Info

ID:	407832
PubChem CID:	135080587
Reduced:	FO5C12H19 (1)
Stoich.:	AB5C12D19 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-300.06
Dipole, Da:	1.41
IP(EA), eV:	-10.19(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-methyl-2-pentyl-2,3-dihydropyran-4-one

Drug info:

PubChemData

Smile

CC1(OCC(O1)C2[C@H]3[C@@H]([C@H](O2)F)OC(O3)(C)C)C

DOS

IR

Vibrations