Geometry & MOs

Info

ID:	217364
PubChem CID:	85087697
Reduced:	NOF6H9C17 (1)
Stoich.:	ABC6D9E17 (1)
Weight, g/mol:	356.08881
ΔH_f, kcal/mol:	-274.92
Dipole, Da:	4.2
IP(EA), eV:	-9.4(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-(3-bromophenyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3(8),4,6-trien-4-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=C(C#N)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O

DOS

IR

Vibrations