Geometry & MOs

Info

ID:	228856
PubChem CID:	87565983
Reduced:	ClN2O2F3C10H10 (1)
Stoich.:	AB2C2D3E10F10 (1)
Weight, g/mol:	426.162267
ΔH_f, kcal/mol:	-161.35
Dipole, Da:	2.36
IP(EA), eV:	-8.7(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1R)-3-(5-chloropyrazin-2-yl)-1-(4-fluoro-3-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide

Drug info:

PubChemData

Smile

C1=CC(C(C(=C1)N)Cl)(/C=N\O)C(=O)C(CF)(F)F

DOS

IR

Vibrations