Geometry & MOs

Info

ID:	315330
PubChem CID:	126625636
Reduced:	N4H26C27 (1)
Stoich.:	A4B26C27 (1)
Weight, g/mol:	601.251798
ΔH_f, kcal/mol:	105.15
Dipole, Da:	2.79
IP(EA), eV:	-9.05(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-(4-methylphenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyridin-2-ylpyrene-1,6-diamine

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(C=CC3=C2N=CC=C3)C(=C1)C4=NC5=CC=CC=C5N=C4C(C)(C)C

DOS

IR

Vibrations