Geometry & MOs

Info

ID:	3107
PubChem CID:	9164
Reduced:	H7C11 (2)
Stoich.:	A7B11 (2)
Weight, g/mol:	278.10955
ΔH_f, kcal/mol:	86.01
Dipole, Da:	0.01
IP(EA), eV:	-8.45(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzo[b]triphenylene

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C4=CC=CC=C4C5=CC=CC=C5C3=CC2=C1

DOS

IR

Vibrations