Geometry & MOs

Info

ID:	122906
PubChem CID:	50826310
Reduced:	N2O2H9C11 (2)
Stoich.:	A2B2C9D11 (2)
Weight, g/mol:	422.170253
ΔH_f, kcal/mol:	-3.94
Dipole, Da:	6.04
IP(EA), eV:	-9.02(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C2=NOC(=N2)CN3C=NC4=C(C3=O)OC5=CC=CC=C54

DOS

IR

Vibrations