Geometry & MOs

Info

ID:	128075
PubChem CID:	51030165
Reduced:	O2F3N4H17C20 (1)
Stoich.:	A2B3C4D17E20 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	-112.45
Dipole, Da:	5.51
IP(EA), eV:	-8.73(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CC1(C2=CC(=NO2)NC(=O)CC3=CC=C(C=C3)C4=CN=C(C=C4)N)C(F)(F)F

DOS

IR

Vibrations