Geometry & MOs

Info

ID:	125985
PubChem CID:	50946714
Reduced:	FON6C18H23 (1)
Stoich.:	ABC6D18E23 (1)
Weight, g/mol:	324.071468
ΔH_f, kcal/mol:	-45.33
Dipole, Da:	2.97
IP(EA), eV:	-8.77(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N2CCCC2)NCCNC(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations