Geometry & MOs

Info

ID:	377895
PubChem CID:	134223961
Reduced:	BrN3C47H60 (1)
Stoich.:	AB3C47D60 (1)
Weight, g/mol:	560.20786
ΔH_f, kcal/mol:	32.27
Dipole, Da:	1.68
IP(EA), eV:	-8.59(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(1-bicyclo[2.2.2]octanyl)phenyl]phenyl]-7-bromo-9-butyl-9H-fluorene

Drug info:

PubChemData

Smile

CCCCCCNC12CCC(CC1)(CC2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC6=C(C=C5)C7=C(C6(C(CCC)N)NCCCC)C=C(C=C7)Br

DOS

IR

Vibrations