Geometry & MOs

Info

ID:	291621
PubChem CID:	113450429
Reduced:	BrON4C11H15 (1)
Stoich.:	ABC4D11E15 (1)
Weight, g/mol:	260.137222
ΔH_f, kcal/mol:	21.4
Dipole, Da:	3.54
IP(EA), eV:	-8.75(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-hydroxy-1-(2-propan-2-yloxyethylcarbamoyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(CNC1=NN2C=CC=C(C2=N1)Br)OC

DOS

IR

Vibrations