Geometry & MOs

Info

ID:	299250
PubChem CID:	117682323
Reduced:	NO5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	964.496779
ΔH_f, kcal/mol:	-248.73
Dipole, Da:	2.4
IP(EA), eV:	-9.91(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,6-N-bis(4-cyclohexylphenyl)-1-N,6-N-bis(6-propan-2-yldibenzofuran-4-yl)pyrene-1,6-diamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1CC2(CCC1=O)OCCO2

DOS

IR

Vibrations