Geometry & MOs

Info

ID:	245615
PubChem CID:	99455609
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-107.35
Dipole, Da:	2.28
IP(EA), eV:	-8.81(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)[C@@H](C)CNC(=O)[C@@H]2CC(=O)N(C2)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations