Geometry & MOs

Info

ID:	5665
PubChem CID:	13456
Reduced:	ClNO3C13H20 (1)
Stoich.:	ABC3D13E20 (1)
Weight, g/mol:	273.113171
ΔH_f, kcal/mol:	-96.52
Dipole, Da:	13.15
IP(EA), eV:	-8.17(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-(hydroxymethyl)-1,2,3,4,5,8-hexahydropyrrolizin-4-ium-1-yl] 2-methylbut-2-enoate;chloride

Drug info:

PubChemData

Smile

CC=C(C)C(=O)OC1CC[NH+]2C1C(=CC2)CO.[Cl-]

DOS

IR

Vibrations