Geometry & MOs

Info

ID:	226266
PubChem CID:	87350276
Reduced:	ON6C12H12 (1)
Stoich.:	AB6C12D12 (1)
Weight, g/mol:	668.30176
ΔH_f, kcal/mol:	127.74
Dipole, Da:	4.8
IP(EA), eV:	-8.68(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-7-(9,9-dioctylfluoren-1-yl)pyrene

Drug info:

PubChemData

Smile

CN(C)C(=O)N1/C(=C\2/C=C3C=CC=CC3=N2)/N=NN1

DOS

IR

Vibrations