Geometry & MOs

Info

ID:	197092
PubChem CID:	78921313
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	294.085186
ΔH_f, kcal/mol:	-67.01
Dipole, Da:	2.99
IP(EA), eV:	-9.03(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[2-(3-nitrophenoxy)acetyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1CCCN(C1)CCC2=CC=NC=C2

DOS

IR

Vibrations