Geometry & MOs

Info

ID:	385000
PubChem CID:	134978114
Reduced:	OC23H28 (1)
Stoich.:	AB23C28 (1)
Weight, g/mol:	146.10955
ΔH_f, kcal/mol:	11.6
Dipole, Da:	1.31
IP(EA), eV:	-9.06(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R,7R)-7-ethynylbicyclo[3.3.1]non-2-ene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCCCCCCCCC#CC2=CC=CC=C2

DOS

IR

Vibrations