Geometry & MOs

Info

ID:	325279
PubChem CID:	126682466
Reduced:	FN3O3C24H26 (1)
Stoich.:	AB3C3D24E26 (1)
Weight, g/mol:	409.21139
ΔH_f, kcal/mol:	-133.27
Dipole, Da:	8.66
IP(EA), eV:	-8.45(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C2N1C=C(NC2=O)CCCC(=O)N3CCC(CC3)C(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations