Geometry & MOs

Info

ID:	83710
PubChem CID:	49860495
Reduced:	Cl2N4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	315.03894
ΔH_f, kcal/mol:	22.5
Dipole, Da:	1.85
IP(EA), eV:	-8.93(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,8aR)-3-(3-bromophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC2=NC=CC(=N2)C3=CC=NC=C3.Cl.Cl

DOS

IR

Vibrations