Geometry & MOs

Info

ID:	325288
PubChem CID:	126682498
Reduced:	O2N8C25H28 (1)
Stoich.:	A2B8C25D28 (1)
Weight, g/mol:	424.191069
ΔH_f, kcal/mol:	6.6
Dipole, Da:	9.89
IP(EA), eV:	-8.75(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-3-methyl-7H-imidazo[1,5-a]pyrazin-8-one

Drug info:

PubChemData

Smile

CC1=NC=C2N1C=C(NC2=O)CCCC(=O)N3CCC(CC3)C4=CC(=C(N=C4)N)C5=NC=CC=N5

DOS

IR

Vibrations