Geometry & MOs

Info

ID:	238916
PubChem CID:	93165726
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-138.21
Dipole, Da:	4.3
IP(EA), eV:	-8.18(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2S)-2-[benzyl(methyl)amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC2=CC=CC=C2N1CCCC(=O)N[C@@H](C(C)C)C(=O)O

DOS

IR

Vibrations