Geometry & MOs

Info

ID:	325284
PubChem CID:	126682482
Reduced:	FN4O4C20H21 (1)
Stoich.:	AB4C4D20E21 (1)
Weight, g/mol:	413.186318
ΔH_f, kcal/mol:	-119.8
Dipole, Da:	7.81
IP(EA), eV:	-8.82(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-3-[4-[4-(3-methyl-6-oxopyridazin-1-yl)piperidin-1-yl]-4-oxobutyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C2=CON=C2)C(=O)CCCC3=CN4C=C(C=C4C(=O)N3)F

DOS

IR

Vibrations