Geometry & MOs

Info

ID:	325291
PubChem CID:	126682504
Reduced:	O3N6C21H26 (1)
Stoich.:	A3B6C21D26 (1)
Weight, g/mol:	410.206639
ΔH_f, kcal/mol:	-59.11
Dipole, Da:	13.04
IP(EA), eV:	-8.73(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-6-[4-[4-(3-methylimidazole-4-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=C4)C

DOS

IR

Vibrations