Geometry & MOs

Info

ID:	3786
PubChem CID:	10197
Reduced:	NO5C15H25 (1)
Stoich.:	AB5C15D25 (1)
Weight, g/mol:	299.173273
ΔH_f, kcal/mol:	-235.1
Dipole, Da:	3.87
IP(EA), eV:	-9.25(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(7S,8S)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate

Drug info:

PubChemData

Smile

C[C@@H](C(C(C)C)(C(=O)OCC1=CCN2[C@@H]1[C@H](CC2)O)O)O

DOS

IR

Vibrations