Geometry & MOs

Info

ID:	141559
PubChem CID:	52893697
Reduced:	OCl2N4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	341.034451
ΔH_f, kcal/mol:	7.35
Dipole, Da:	4.19
IP(EA), eV:	-8.94(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]carbamoyl]pyridazin-3-olate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=C(N=CC=C3)Cl

DOS

IR

Vibrations