Geometry & MOs

Info

ID:	446319
PubChem CID:	135274031
Reduced:	ON5C25H25 (1)
Stoich.:	AB5C25D25 (1)
Weight, g/mol:	259.141973
ΔH_f, kcal/mol:	79.67
Dipole, Da:	5.84
IP(EA), eV:	-8.43(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-hydroxyethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(CN1C2=C(C=C(C=C2)C3=CN=C4C(=C3C5=CCC(CC5)C#N)C=CN4)C=N1)O

DOS

IR

Vibrations