Geometry & MOs

Info

ID:	389760
PubChem CID:	134995062
Reduced:	C13H16 (1)
Stoich.:	A13B16 (1)
Weight, g/mol:	236.156501
ΔH_f, kcal/mol:	26.69
Dipole, Da:	0.45
IP(EA), eV:	-8.84(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bicyclo[12.2.2]octadeca-1(16),14,17-trien-6,8-diyne

Drug info:

PubChemData

Smile

CC=C=CC1=C(C=C(C=C1C)C)C

DOS

IR

Vibrations