Geometry & MOs

Info

ID:	142920
PubChem CID:	53116377
Reduced:	O4N5C20H21 (1)
Stoich.:	A4B5C20D21 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	-102.74
Dipole, Da:	2.25
IP(EA), eV:	-9.51(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-(2-oxo-2-piperidin-1-ylethyl)-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCN1C2=NC(=NC=C2C(=O)N(C1=O)CC(=O)N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations