Geometry & MOs

Info

ID:	48575
PubChem CID:	11108699
Reduced:	NO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-148.57
Dipole, Da:	1.5
IP(EA), eV:	-8.96(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-[(2R)-2,3-dihydroxypropyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1OCCN2CCOCC2)C(=O)OC

DOS

IR

Vibrations