Geometry & MOs

Info

ID:	77523
PubChem CID:	49649926
Reduced:	N2O3H20C22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	372.179755
ΔH_f, kcal/mol:	-26.49
Dipole, Da:	4.88
IP(EA), eV:	-9.97(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclobutanecarbonyl)-5-(6-methyl-2-morpholin-4-yl-4-oxo-1H-pyrimidin-5-yl)-3-oxopentanenitrile

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)C(C#N)C(=O)C(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations