Geometry & MOs

Info

ID:	142923
PubChem CID:	53116403
Reduced:	O3N5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	443.19574
ΔH_f, kcal/mol:	-78.5
Dipole, Da:	5.41
IP(EA), eV:	-9.8(-1.73)
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-(3-phenylpropyl)acetamide

Drug info:

PubChemData

Smile

CCCNC(=O)CN1C(=O)C2=CN=C(N=C2N(C1=O)CC)C3=CC=CC=C3

DOS

IR

Vibrations