Geometry & MOs

Info

ID:	320804
PubChem CID:	126663582
Reduced:	Br3N4C14H15 (1)
Stoich.:	A3B4C14D15 (1)
Weight, g/mol:	346.10446
ΔH_f, kcal/mol:	65.92
Dipole, Da:	4.76
IP(EA), eV:	-8.53(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-3-(6-bromo-5,7-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)cyclopentan-1-amine

Drug info:

PubChemData

Smile

C1CC2=C3C(=C(C(=C2Br)Br)Br)NC(N3C1)N[C@H]4CC=NC4

DOS

IR

Vibrations