Geometry & MOs

Info

ID:	377899
PubChem CID:	134223965
Reduced:	BrC20H21 (1)
Stoich.:	AB20C21 (1)
Weight, g/mol:	439.18746
ΔH_f, kcal/mol:	29.62
Dipole, Da:	2.08
IP(EA), eV:	-9.38(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-bromophenyl)phenyl]-N-hexylbicyclo[2.2.2]octan-1-amine

Drug info:

PubChemData

Smile

C1CC2(CCC1(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations