Geometry & MOs

Info

ID:	6204
PubChem CID:	67481
Reduced:	H2C3 (7)
Stoich.:	A2B3 (7)
Weight, g/mol:	266.10955
ΔH_f, kcal/mol:	80.04
Dipole, Da:	0.75
IP(EA), eV:	-8.4(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene

Drug info:

PubChemData

Smile

C1C2=CC3=CC=CC=C3C=C2C4=C1C5=CC=CC=C5C=C4

DOS

IR

Vibrations