Geometry & MOs

Info

ID:	340593
PubChem CID:	127262604
Reduced:	ClN5C9H16 (1)
Stoich.:	AB5C9D16 (1)
Weight, g/mol:	213.020812
ΔH_f, kcal/mol:	15.12
Dipole, Da:	6.94
IP(EA), eV:	-8.74(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfonyl-2,1,3-benzoxadiazol-7-amine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NN=C(C=C2)N.Cl

DOS

IR

Vibrations