Geometry & MOs

Info

ID:	407628
PubChem CID:	135080377
Reduced:	NOC7H9 (1)
Stoich.:	ABC7D9 (1)
Weight, g/mol:	244.128572
ΔH_f, kcal/mol:	23.26
Dipole, Da:	4.09
IP(EA), eV:	-10.5(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-oct-4-en-4-yl]-1-benzothiophene

Drug info:

PubChemData

Smile

C1C(O1)CCC=CC#N

DOS

IR

Vibrations