Geometry & MOs

Info

ID:	126966
PubChem CID:	50985865
Reduced:	NOC6H7 (4)
Stoich.:	ABC6D7 (4)
Weight, g/mol:	456.216141
ΔH_f, kcal/mol:	-110.57
Dipole, Da:	4.81
IP(EA), eV:	-9.34(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2R)-1-(naphthalene-1-carbonyl)pyrrolidine-2-carbonyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)N2CCC[C@@H]2C(=O)N3CCC[C@H]3C(=O)NCC4=CC=NC=C4

DOS

IR

Vibrations