Geometry & MOs

Info

ID:	341820
PubChem CID:	127264513
Reduced:	ClN2O2C4H11 (1)
Stoich.:	AB2C2D4E11 (1)
Weight, g/mol:	334.189257
ΔH_f, kcal/mol:	-138.2
Dipole, Da:	4.33
IP(EA), eV:	-9.74(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H]([C@H](C(=O)N)N)O.Cl

DOS

IR

Vibrations