Geometry & MOs

Info

ID:	7431
PubChem CID:	72611
Reduced:	ClNO2C8H14 (1)
Stoich.:	ABC2D8E14 (1)
Weight, g/mol:	191.071306
ΔH_f, kcal/mol:	-113.89
Dipole, Da:	2.98
IP(EA), eV:	-8.98(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,8S)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-ol;hydrochloride

Drug info:

PubChemData

Smile

C1CN2CC=C([C@H]2[C@H]1O)CO.Cl

DOS

IR

Vibrations