Geometry & MOs

Info

ID:	325290
PubChem CID:	126682501
Reduced:	O2N3C11H13 (2)
Stoich.:	A2B3C11D13 (2)
Weight, g/mol:	410.206639
ΔH_f, kcal/mol:	-89.17
Dipole, Da:	7.56
IP(EA), eV:	-8.73(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C2N1C=C(NC2=O)CCCC(=O)N3CCC(CC3)C(=O)C4=NN=C(C=C4)OC

DOS

IR

Vibrations