Geometry & MOs

Info

ID:	295549
PubChem CID:	117533835
Reduced:	O2C15H24 (1)
Stoich.:	A2B15C24 (1)
Weight, g/mol:	307.09356
ΔH_f, kcal/mol:	-131.62
Dipole, Da:	4.97
IP(EA), eV:	-10.5(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-bromophenyl)-1-bicyclo[2.2.2]octanyl]ethanamine

Drug info:

PubChemData

Smile

C1CCC(C1)C23CCC(CC2)(CC3)CC(=O)O

DOS

IR

Vibrations