Geometry & MOs

Info

ID:	441090
PubChem CID:	135233043
Reduced:	ClF3O3N4H28C29 (1)
Stoich.:	AB3C3D4E28F29 (1)
Weight, g/mol:	201.090212
ΔH_f, kcal/mol:	-196.79
Dipole, Da:	7.33
IP(EA), eV:	-8.34(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]pyridine-4-carbonitrile

Drug info:

PubChemData

Smile

CN(C1=C(C(=CC=C1)F)C2CC(=O)N(C2)C3=NC=C(C=C3)OC)[C@@H](C4=CC=CC=C4Cl)C(=O)NC5CC(C5)(F)F

DOS

IR

Vibrations