Geometry & MOs

Info

ID:	442975
PubChem CID:	135257223
Reduced:	O2N4C21H42 (1)
Stoich.:	A2B4C21D42 (1)
Weight, g/mol:	323.141596
ΔH_f, kcal/mol:	-144.92
Dipole, Da:	2.33
IP(EA), eV:	-8.66(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-2-methylimidazo[1,5-b]pyridazine

Drug info:

PubChemData

Smile

CCN1CCC(CC1)NC(=O)CCCN(CC)C2(CCN(CC2)C(C)C)O

DOS

IR

Vibrations