Geometry & MOs

Info

ID:	386654
PubChem CID:	134982442
Reduced:	OH13C14 (2)
Stoich.:	AB13C14 (2)
Weight, g/mol:	218.10955
ΔH_f, kcal/mol:	63.44
Dipole, Da:	6.09
IP(EA), eV:	-8.81(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,2Z,8Z,10E,12Z,14Z)-tricyclo[9.5.1.03,8]heptadeca-1(16),2,4,6,8,10,12,14-octaene

Drug info:

PubChemData

Smile

CCCC1=C(C1=C2C=CC(=C2C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)CCC

DOS

IR

Vibrations