Geometry & MOs

Info

ID:	409521
PubChem CID:	135082303
Reduced:	OH4C5 (3)
Stoich.:	AB4C5 (3)
Weight, g/mol:	208.125201
ΔH_f, kcal/mol:	53.56
Dipole, Da:	6.82
IP(EA), eV:	-9.84(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tricyclo[10.4.0.04,9]hexadeca-1(12),4(9)-dien-2,10-diyne

Drug info:

PubChemData

Smile

C[C@H]1CC(=O)OC1C#CC#CC#CC#CC(C)O

DOS

IR

Vibrations