Geometry & MOs

Info

ID:	217083
PubChem CID:	85087220
Reduced:	SO2N4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	330.140851
ΔH_f, kcal/mol:	-30.92
Dipole, Da:	7.33
IP(EA), eV:	-9.34(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(cyclooctatetraenyl)ethynyl]phenyl]ethynylcyclooctatetraene

Drug info:

PubChemData

Smile

CC(=O)NC1=NC2=C(S1)C=CC(=C2)C(=O)NC3CC4CCC3N4

DOS

IR

Vibrations