Geometry & MOs

Info

ID:	377894
PubChem CID:	134223960
Reduced:	OSN6C19H20 (1)
Stoich.:	ABC6D19E20 (1)
Weight, g/mol:	745.39706
ΔH_f, kcal/mol:	52.33
Dipole, Da:	5.15
IP(EA), eV:	-8.47(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(1-aminobutyl)-2-bromo-N-butyl-7-[4-[4-[4-(hexylamino)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]fluoren-9-amine

Drug info:

PubChemData

Smile

CC1=CC2=NC(=NN2C3=C1C(=C(S3)C(NC4CC5=C(C4)N=CC=C5)O)N)C

DOS

IR

Vibrations