Geometry & MOs

Info

ID:	395308
PubChem CID:	135025170
Reduced:	NO2H19C27 (1)
Stoich.:	AB2C19D27 (1)
Weight, g/mol:	685.225308
ΔH_f, kcal/mol:	21.76
Dipole, Da:	4.35
IP(EA), eV:	-8.37(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-nitro-5,7,12,14-tetraphenylpentacene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C=C(C(=CC3=C(C4=CC=CC=C42)C5=CC=CC=C5)N)C(=O)O

DOS

IR

Vibrations