Geometry & MOs

Info

ID:	3105
PubChem CID:	9162
Reduced:	H7C11 (2)
Stoich.:	A7B11 (2)
Weight, g/mol:	278.10955
ΔH_f, kcal/mol:	85.0
Dipole, Da:	0.06
IP(EA), eV:	-8.55(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

picene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=CC5=CC=CC=C54

DOS

IR

Vibrations