Geometry & MOs

Info

ID:	83711
PubChem CID:	49860502
Reduced:	BrClNC14H19 (1)
Stoich.:	ABCD14E19 (1)
Weight, g/mol:	253.123342
ΔH_f, kcal/mol:	-27.87
Dipole, Da:	2.69
IP(EA), eV:	-8.71(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenol;hydrochloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations