Geometry & MOs

Info

ID:	323700
PubChem CID:	126675762
Reduced:	N9C13H19 (1)
Stoich.:	A9B13C19 (1)
Weight, g/mol:	488.212714
ΔH_f, kcal/mol:	115.81
Dipole, Da:	1.85
IP(EA), eV:	-8.47(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-tert-butyl-2,3,5,6-tetrafluorophenyl)butyl]triphenylene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=N/N(CC2=CC(=NC(=C2N)NN)N)N)/N

DOS

IR

Vibrations