Geometry & MOs

Info

ID:	275738
PubChem CID:	103817345
Reduced:	ClON4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	241.088498
ΔH_f, kcal/mol:	22.93
Dipole, Da:	4.74
IP(EA), eV:	-10.15(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridazine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N(CC#N)C(=O)C2=CN=C(C=N2)Cl

DOS

IR

Vibrations