Geometry & MOs

Info

ID:	343177
PubChem CID:	127266350
Reduced:	OF4N4H12C14 (1)
Stoich.:	AB4C4D12E14 (1)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	-181.97
Dipole, Da:	5.69
IP(EA), eV:	-8.78(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-tert-butyl-1,3-benzoxazol-5-yl)-1-methyl-1-(1-methylpyrazol-4-yl)urea

Drug info:

PubChemData

Smile

C1CC2=C(C=NN2)N(C1)C(=O)NC3=C(C=C(C=C3)F)C(F)(F)F

DOS

IR

Vibrations