Geometry & MOs

Info

ID:	142919
PubChem CID:	53116376
Reduced:	O3N6C22H26 (1)
Stoich.:	A3B6C22D26 (1)
Weight, g/mol:	395.159354
ΔH_f, kcal/mol:	-65.8
Dipole, Da:	1.11
IP(EA), eV:	-8.79(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-(2-morpholin-4-yl-2-oxoethyl)-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)CN2C(=O)C3=CN=C(N=C3N(C2=O)CC)C4=CC=CC=C4

DOS

IR

Vibrations