Geometry & MOs

Info

ID:	427724
PubChem CID:	135161727
Reduced:	ON2C13H26 (1)
Stoich.:	AB2C13D26 (1)
Weight, g/mol:	289.090328
ΔH_f, kcal/mol:	-63.92
Dipole, Da:	2.44
IP(EA), eV:	-9.38(1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-3-(2-chloroethyl)-6a-[(1S)-1-hydroxy-2-methylpropyl]-2-methyl-4,5-dihydro-3aH-thieno[2,3-c]pyrrol-6-one

Drug info:

PubChemData

Smile

CCCC(CN)OCC(C)C(C#N)C(C)C

DOS

IR

Vibrations