Geometry & MOs

Info

ID:	128074
PubChem CID:	51030164
Reduced:	O2F3N4H19C20 (1)
Stoich.:	A2B3C4D19E20 (1)
Weight, g/mol:	402.13036
ΔH_f, kcal/mol:	-145.64
Dipole, Da:	5.43
IP(EA), eV:	-8.74(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=NO1)NC(=O)CC2=CC=C(C=C2)C3=CN=C(C=C3)N)C(F)(F)F

DOS

IR

Vibrations