Geometry & MOs

Info

ID:	238818
PubChem CID:	93165555
Reduced:	N2O5C15H22 (1)
Stoich.:	A2B5C15D22 (1)
Weight, g/mol:	310.152872
ΔH_f, kcal/mol:	-196.37
Dipole, Da:	7.13
IP(EA), eV:	-9.47(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[5-[(1R)-1-[2-hydroxyethyl(methyl)amino]ethyl]furan-2-carbonyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)CC2=CC=C(O2)C(=O)N[C@@H](C)C(=O)O

DOS

IR

Vibrations