Geometry & MOs

Info

ID:	77516
PubChem CID:	49649899
Reduced:	O2N5C19H19 (1)
Stoich.:	A2B5C19D19 (1)
Weight, g/mol:	367.16444
ΔH_f, kcal/mol:	46.23
Dipole, Da:	4.27
IP(EA), eV:	-9.59(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyano-5-cyclobutyl-3,5-dioxopentyl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C(C=NN12)C#N)C)CCC(=O)C(C#N)C(=O)C3CCC3

DOS

IR

Vibrations