Geometry & MOs

Info

ID:	325282
PubChem CID:	126682479
Reduced:	FN3O4C26H30 (1)
Stoich.:	AB3C4D26E30 (1)
Weight, g/mol:	413.186318
ΔH_f, kcal/mol:	-184.99
Dipole, Da:	10.66
IP(EA), eV:	-8.6(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)CCCC3=CN4C=C(C=C4C(=O)N3)F)O

DOS

IR

Vibrations