Geometry & MOs

Info

ID:	420028
PubChem CID:	135110816
Reduced:	ClON3C20H28 (1)
Stoich.:	ABC3D20E28 (1)
Weight, g/mol:	329.153955
ΔH_f, kcal/mol:	-36.05
Dipole, Da:	4.03
IP(EA), eV:	-8.34(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-fluoro-2-methylphenyl)-1-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=CC=C2Cl)CN3CC[C@]4(CCCN([C@@H]4C3)C)CO

DOS

IR

Vibrations