Geometry & MOs

Info

ID:	325296
PubChem CID:	126682514
Reduced:	O3N5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	410.206639
ΔH_f, kcal/mol:	-38.99
Dipole, Da:	11.83
IP(EA), eV:	-8.86(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC2=C1NC(=NC2=O)CCCC(=O)N3CCC(CC3)OC4=CC=C(C=C4)C#N

DOS

IR

Vibrations