Geometry & MOs

Info

ID:	398991
PubChem CID:	135036805
Reduced:	OC4H5 (2)
Stoich.:	AB4C5 (2)
Weight, g/mol:	244.131074
ΔH_f, kcal/mol:	-53.49
Dipole, Da:	5.46
IP(EA), eV:	-10.64(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[(2S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropyl]oxolan-2-one

Drug info:

PubChemData

Smile

C[C@H](C#C)[C@@H]1CCOC1=O

DOS

IR

Vibrations