Geometry & MOs

Info

ID:	10345
PubChem CID:	100730
Reduced:	ClN3O3H8C9 (1)
Stoich.:	AB3C3D8E9 (1)
Weight, g/mol:	241.025419
ΔH_f, kcal/mol:	-97.31
Dipole, Da:	6.75
IP(EA), eV:	-8.82(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C(=C2)Cl)NC(=O)N)OC1=O

DOS

IR

Vibrations