Geometry & MOs

Info

ID:	414
PubChem CID:	2733
Reduced:	ClNO2H4C7 (1)
Stoich.:	ABC2D4E7 (1)
Weight, g/mol:	168.993056
ΔH_f, kcal/mol:	-54.2
Dipole, Da:	2.73
IP(EA), eV:	-9.47(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3H-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)NC(=O)O2

DOS

IR

Vibrations