Geometry & MOs

Info

ID:	45333
PubChem CID:	10511361
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	174.089209
ΔH_f, kcal/mol:	-108.57
Dipole, Da:	1.17
IP(EA), eV:	-9.89(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-hydroxy-3-[(3R)-5-hydroxyoxolan-3-yl]butanal

Drug info:

PubChemData

Smile

CC[C@@H]([C@@H](C)C(=C)C)C(=O)OC

DOS

IR

Vibrations