Geometry & MOs

Info

ID:	1588
PubChem CID:	4733
Reduced:	O2H5C11 (2)
Stoich.:	A2B5C11 (2)
Weight, g/mol:	338.057909
ΔH_f, kcal/mol:	-42.17
Dipole, Da:	0.14
IP(EA), eV:	-10.46(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentacene-5,7,12,14-tetrone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3=CC4=C(C=C3C2=O)C(=O)C5=CC=CC=C5C4=O

DOS

IR

Vibrations