Geometry & MOs

Info

ID:	77907
PubChem CID:	49670731
Reduced:	O2N4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	491.22024
ΔH_f, kcal/mol:	7.33
Dipole, Da:	3.95
IP(EA), eV:	-8.54(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylpiperidin-1-yl)-6-[4-(2,3,4-trimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CNC(=O)CCC2=CNC3=CC=CC=C32

DOS

IR

Vibrations