Geometry & MOs

Info

ID:	319196
PubChem CID:	126655289
Reduced:	FO4N7C31H34 (1)
Stoich.:	AB4C7D31E34 (1)
Weight, g/mol:	165.090212
ΔH_f, kcal/mol:	-90.28
Dipole, Da:	4.48
IP(EA), eV:	-8.44(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-2-(1H-pyrazol-5-yl)-5H-1,3-oxazole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=C(C1=O)C(=CC(=N2)C3=C(C=CC=C3F)C#N)N4C=CC(=N4)N5CCC(CC5)N6CCOCC6

DOS

IR

Vibrations