Geometry & MOs

Info

ID:	45611
PubChem CID:	10515540
Reduced:	NO5H11C13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	261.100108
ΔH_f, kcal/mol:	-132.12
Dipole, Da:	4.29
IP(EA), eV:	-9.48(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,6S,8S)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-1-yl] benzoate

Drug info:

PubChemData

Smile

CCOC(=O)O/C=C\1/C(=O)OC(=N1)C2=CC=CC=C2

DOS

IR

Vibrations