Geometry & MOs

Info

ID:	3979
PubChem CID:	10523
Reduced:	NO5C15H27 (1)
Stoich.:	AB5C15D27 (1)
Weight, g/mol:	301.188923
ΔH_f, kcal/mol:	-212.77
Dipole, Da:	5.37
IP(EA), eV:	-8.88(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,8S)-4-oxido-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)[C@@](C(C)O)(C(=O)OC[C@H]1CC[N+]2([C@H]1CCC2)[O-])O

DOS

IR

Vibrations