Geometry & MOs

Info

ID:	77517
PubChem CID:	49649901
Reduced:	O3N5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	327.133139
ΔH_f, kcal/mol:	-33.48
Dipole, Da:	7.26
IP(EA), eV:	-9.2(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclobutanecarbonyl)-5-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-3-oxopentanenitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C(N=CN12)C(=O)N)C)CCC(=O)C(C#N)C(=O)C3CCC3

DOS

IR

Vibrations