Geometry & MOs

Info

ID:	422319
PubChem CID:	135117632
Reduced:	FSO2N4C19H23 (1)
Stoich.:	ABC2D4E19F23 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	-60.73
Dipole, Da:	4.32
IP(EA), eV:	-8.55(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[4-(1-propan-2-ylpyrrole-2-carbonyl)piperazin-1-yl]pyridazin-3-one

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C3=NC=C(C(=N3)N4CCOCC4)F)C5=C1C=CS5

DOS

IR

Vibrations