Geometry & MOs

Info

ID:	238917
PubChem CID:	93165727
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-126.36
Dipole, Da:	4.86
IP(EA), eV:	-9.49(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N(C)CC2=CC=CC=C2

DOS

IR

Vibrations