Geometry & MOs

Info

ID:	224928
PubChem CID:	85730914
Reduced:	FOC12H13 (2)
Stoich.:	ABC12D13 (2)
Weight, g/mol:	320.0626
ΔH_f, kcal/mol:	-112.64
Dipole, Da:	3.04
IP(EA), eV:	-9.19(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tricyclo[6.6.6.61,8]hexacosa-4,11,17,23-tetraen-2,6,9,13,15,19,21,25-octayne

Drug info:

PubChemData

Smile

CCCCCCC1COC(OC1)C2=CC=C(C=C2)C#CC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations