Geometry & MOs

Info

ID:	128073
PubChem CID:	51030056
Reduced:	FON8H19C20 (1)
Stoich.:	ABC8D19E20 (1)
Weight, g/mol:	404.14601
ΔH_f, kcal/mol:	83.07
Dipole, Da:	3.59
IP(EA), eV:	-8.66(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(6-aminopyridin-3-yl)phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C2=NC=C(C=N2)OCC3=C(C=NC=C3)C#N)C4=NC=C(C=N4)F

DOS

IR

Vibrations