Geometry & MOs

Info

ID:	122169
PubChem CID:	50796606
Reduced:	ClN3O3H12C15 (1)
Stoich.:	AB3C3D12E15 (1)
Weight, g/mol:	297.111341
ΔH_f, kcal/mol:	-71.44
Dipole, Da:	9.61
IP(EA), eV:	-8.82(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-(2-methylphenyl)urea

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl)OC1=O

DOS

IR

Vibrations