Geometry & MOs

Info

ID:	254494
PubChem CID:	103125684
Reduced:	ON4C10H18 (1)
Stoich.:	AB4C10D18 (1)
Weight, g/mol:	251.98726
ΔH_f, kcal/mol:	-21.78
Dipole, Da:	3.63
IP(EA), eV:	-8.32(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2,1,3-benzothiadiazol-4-yl)-1H-imidazol-2-one

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CN2C=CNC2=O)C

DOS

IR

Vibrations