Geometry & MOs

Info

ID:	126331
PubChem CID:	50960009
Reduced:	ON4H18C20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	22.24
Dipole, Da:	5.49
IP(EA), eV:	-8.3(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,4R)-1-methyl-4-[[2-(methylamino)benzoyl]amino]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1CC2=CC3=C(C=C2NC4=CC=CC=C41)NC(=O)CC3C5=NC=CN5

DOS

IR

Vibrations