Geometry & MOs

Info

ID:	227642
PubChem CID:	87562151
Reduced:	SO3N4H16C17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	417.175165
ΔH_f, kcal/mol:	-46.31
Dipole, Da:	5.08
IP(EA), eV:	-8.82(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-chloro-4-methylpyridazin-3-yl)-2-methyl-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C2=CN=CC(=C2)C3=CC4=C(C=C3)N=C(S4)NC(=O)O

DOS

IR

Vibrations