Geometry & MOs

Info

ID:	24280
PubChem CID:	609062
Reduced:	H3C4 (4)
Stoich.:	A3B4 (4)
Weight, g/mol:	204.0939
ΔH_f, kcal/mol:	123.4
Dipole, Da:	0.41
IP(EA), eV:	-9.14(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentacyclo[8.6.0.02,9.03,8.011,16]hexadeca-3,5,7,11,13,15-hexaene

Drug info:

PubChemData

Smile

C1=CC=C2C3C(C2=C1)C4C3C5=CC=CC=C45

DOS

IR

Vibrations