Geometry & MOs

Info

ID:	299245
PubChem CID:	117682313
Reduced:	F3N3O3H20C23 (1)
Stoich.:	A3B3C3D20E23 (1)
Weight, g/mol:	884.434179
ΔH_f, kcal/mol:	-203.4
Dipole, Da:	4.01
IP(EA), eV:	-9.46(-1.4)
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(2,5-dimethylphenyl)pyrene-1,6-diamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations