Geometry & MOs

Info

ID:	299235
PubChem CID:	117682280
Reduced:	O3F4N4C30H34 (1)
Stoich.:	A3B4C4D30E34 (1)
Weight, g/mol:	936.315048
ΔH_f, kcal/mol:	-259.19
Dipole, Da:	8.93
IP(EA), eV:	-9.38(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,6-N-bis(6-propyldibenzofuran-4-yl)-1-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations