Geometry & MOs

Info

ID:	137808
PubChem CID:	52264658
Reduced:	N2O3H18C20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	371.175753
ΔH_f, kcal/mol:	-35.84
Dipole, Da:	3.5
IP(EA), eV:	-8.78(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl]-N-pyridin-3-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations