Geometry & MOs

Info

ID:	410206
PubChem CID:	135082997
Reduced:	H5C6 (2)
Stoich.:	A5B6 (2)
Weight, g/mol:	120.0939
ΔH_f, kcal/mol:	125.6
Dipole, Da:	1.71
IP(EA), eV:	-8.74(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylidenecyclooctyne

Drug info:

PubChemData

Smile

C1CC2CC#C/C=C\C#CC2=C1

DOS

IR

Vibrations