Geometry & MOs

Info

ID:	48872
PubChem CID:	11528423
Reduced:	ClNC6H14 (1)
Stoich.:	ABC6D14 (1)
Weight, g/mol:	172.073559
ΔH_f, kcal/mol:	-38.81
Dipole, Da:	0.79
IP(EA), eV:	-9.57(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aS)-5-hydroxy-7a-methyl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one

Drug info:

PubChemData

Smile

CCC[C@H](CCCl)N

DOS

IR

Vibrations