Geometry & MOs

Info

ID:	299300
PubChem CID:	117682528
Reduced:	F3N3O3H20C23 (1)
Stoich.:	A3B3C3D20E23 (1)
Weight, g/mol:	980.434179
ΔH_f, kcal/mol:	-206.4
Dipole, Da:	10.35
IP(EA), eV:	-9.0(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2[C@H]3CCCC[C@@H]3N(C2=O)C4=CC(=C(C=C4)C#N)C(F)(F)F)OC=O

DOS

IR

Vibrations