Geometry & MOs

Info

ID:	208285
PubChem CID:	80512526
Reduced:	N5C11H15 (1)
Stoich.:	A5B11C15 (1)
Weight, g/mol:	245.062283
ΔH_f, kcal/mol:	66.2
Dipole, Da:	1.51
IP(EA), eV:	-9.31(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenoxy)pyridazine-4-carbothioamide

Drug info:

PubChemData

Smile

C1CC(CCC1N)NC2=C(C=CN=N2)C#N

DOS

IR

Vibrations