Geometry & MOs

Info

ID:	341912
PubChem CID:	127264605
Reduced:	ClO2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-57.18
Dipole, Da:	1.31
IP(EA), eV:	-9.93(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-benzyl-4-ethoxycarbonylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=NC=C(C=C2)CC(C(=O)O)N.Cl

DOS

IR

Vibrations