Geometry & MOs

Info

ID:	409520
PubChem CID:	135082302
Reduced:	NO3C9H9 (1)
Stoich.:	AB3C9D9 (1)
Weight, g/mol:	240.078644
ΔH_f, kcal/mol:	-31.86
Dipole, Da:	4.96
IP(EA), eV:	-9.3(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-(9-hydroxydeca-1,3,5,7-tetraynyl)-4-methyloxolan-2-one

Drug info:

PubChemData

Smile

CO/C(=C\C#CC#CCO)/C(=O)N

DOS

IR

Vibrations