Geometry & MOs

Info

ID:	399958
PubChem CID:	135044198
Reduced:	OC19H22 (1)
Stoich.:	AB19C22 (1)
Weight, g/mol:	174.113018
ΔH_f, kcal/mol:	-9.6
Dipole, Da:	3.02
IP(EA), eV:	-9.4(0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1R,6R,7S,8R)-7-(hydroxymethyl)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-1,6-diol

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1)C(C)(C)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations