Geometry & MOs

Info

ID:	23043
PubChem CID:	601311
Reduced:	H6C7 (2)
Stoich.:	A6B7 (2)
Weight, g/mol:	180.0939
ΔH_f, kcal/mol:	140.23
Dipole, Da:	0.29
IP(EA), eV:	-8.79(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentacyclo[6.4.1.12,7.01,8.02,7]tetradeca-3,5,9,11-tetraene

Drug info:

PubChemData

Smile

C1C23C1(C=CC=C2)C45C3(C4)C=CC=C5

DOS

IR

Vibrations