Geometry & MOs

Info

ID:	238824
PubChem CID:	93165565
Reduced:	N2O3C17H30 (1)
Stoich.:	A2B3C17D30 (1)
Weight, g/mol:	310.225643
ΔH_f, kcal/mol:	-166.19
Dipole, Da:	7.74
IP(EA), eV:	-8.9(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(2S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H](N1[C@@H](C(C)C)C(=O)N2CCC[C@@H]2C(=O)O)C

DOS

IR

Vibrations