Geometry & MOs

Info

ID:	243031
PubChem CID:	99215202
Reduced:	BrO2N3C20H28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	431.200905
ΔH_f, kcal/mol:	-88.65
Dipole, Da:	6.69
IP(EA), eV:	-8.25(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]2CCN(C2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations