Geometry & MOs

Info

ID:	238964
PubChem CID:	93165787
Reduced:	F2N2O3C18H18 (1)
Stoich.:	A2B2C3D18E18 (1)
Weight, g/mol:	388.236208
ΔH_f, kcal/mol:	-164.46
Dipole, Da:	2.01
IP(EA), eV:	-8.96(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)O[C@H](C)C(=O)NNC(=O)C2=C(C=CC=C2F)F)C

DOS

IR

Vibrations