Geometry & MOs

Info

ID:	245640
PubChem CID:	99455728
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	437.1314
ΔH_f, kcal/mol:	-87.38
Dipole, Da:	7.99
IP(EA), eV:	-8.46(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)[C@@H](C)CNC(=O)CN2C3=CC=CC=C3C(=O)C4=CC=CC=C42

DOS

IR

Vibrations