Geometry & MOs

Info

ID:	325287
PubChem CID:	126682494
Reduced:	O4N5C20H23 (1)
Stoich.:	A4B5C20D23 (1)
Weight, g/mol:	472.233522
ΔH_f, kcal/mol:	-73.51
Dipole, Da:	7.46
IP(EA), eV:	-8.99(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[4-(6-amino-5-pyrimidin-2-ylpyridin-3-yl)piperidin-1-yl]-4-oxobutyl]-3-methyl-7H-imidazo[1,5-a]pyrazin-8-one

Drug info:

PubChemData

Smile

CC1=CN=C2N1C=C(NC2=O)CCCC(=O)N3CCC(CC3)C(=O)C4=CON=C4

DOS

IR

Vibrations