Geometry & MOs

Info

ID:	55292
PubChem CID:	17390014
Reduced:	ON3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	240.996427
ΔH_f, kcal/mol:	-30.64
Dipole, Da:	3.93
IP(EA), eV:	-9.15(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzodioxol-5-yl)-1,3-thiazole;hydrochloride

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=C(C(=O)NN2)CCN

DOS

IR

Vibrations