Geometry & MOs

Info

ID:	325283
PubChem CID:	126682481
Reduced:	FO3N5C21H24 (1)
Stoich.:	AB3C5D21E24 (1)
Weight, g/mol:	400.154683
ΔH_f, kcal/mol:	-102.52
Dipole, Da:	12.56
IP(EA), eV:	-8.74(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2CCN(CC2)C(=O)CCCC3=CN4C=C(C=C4C(=O)N3)F

DOS

IR

Vibrations