Geometry & MOs

Info

ID:	421995
PubChem CID:	135116982
Reduced:	ON4C19H26 (1)
Stoich.:	AB4C19D26 (1)
Weight, g/mol:	356.173607
ΔH_f, kcal/mol:	7.39
Dipole, Da:	7.08
IP(EA), eV:	-8.34(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-1-methyl-4-[(2-methyl-2-naphthalen-1-yloxypropanoyl)amino]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C3=NC=C(C=C3)CN4C=CN=C4

DOS

IR

Vibrations