Geometry & MOs

Info

ID:	142921
PubChem CID:	53116378
Reduced:	O3N5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	450.237939
ΔH_f, kcal/mol:	-74.86
Dipole, Da:	2.54
IP(EA), eV:	-9.52(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-ethyl-2,4-dioxo-7-phenylpyrimido[4,5-d]pyrimidin-3-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CCN1C2=NC(=NC=C2C(=O)N(C1=O)CC(=O)N3CCCCC3)C4=CC=CC=C4

DOS

IR

Vibrations