Geometry & MOs

Info

ID:	3118
PubChem CID:	9175
Reduced:	H8C11 (2)
Stoich.:	A8B11 (2)
Weight, g/mol:	280.125201
ΔH_f, kcal/mol:	120.46
Dipole, Da:	0.97
IP(EA), eV:	-7.42(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5a,6-dihydropentaphene

Drug info:

PubChemData

Smile

C1C=C2C=C3C=CC=CC3=CC2=C4C1C=C5C=CC=CC5=C4

DOS

IR

Vibrations