Geometry & MOs

Info

ID:	400087
PubChem CID:	135045238
Reduced:	ClN2H11C12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	282.128966
ΔH_f, kcal/mol:	66.88
Dipole, Da:	3.62
IP(EA), eV:	-10.2(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[4-hydroxy-1-(thiolan-1-ylidene)butyl]-2-methylfuran-3-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CCCCl)(C#N)C#N

DOS

IR

Vibrations