Geometry & MOs

Info

ID:	12070
PubChem CID:	129639
Reduced:	OC3H4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	224.104859
ΔH_f, kcal/mol:	-168.05
Dipole, Da:	4.95
IP(EA), eV:	-10.05(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6R)-6-ethyl-5-hydroxy-3-(hydroxymethyl)-5,6,7,8-tetrahydrochromen-4-one

Drug info:

PubChemData

Smile

CC[C@@H]1CCC2=C([C@H]1O)C(=O)C(=CO2)CO

DOS

IR

Vibrations