Geometry & MOs

Info

ID:	83712
PubChem CID:	49860503
Reduced:	ClNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	315.03894
ΔH_f, kcal/mol:	-69.11
Dipole, Da:	2.12
IP(EA), eV:	-8.77(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,8aR)-5-(4-bromophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride

Drug info:

PubChemData

Smile

C1CCN2[C@H](C1)CC[C@@H]2C3=CC=C(C=C3)O.Cl

DOS

IR

Vibrations