Geometry & MOs

Info

ID:	364025
PubChem CID:	127313696
Reduced:	O3N6C20H20 (1)
Stoich.:	A3B6C20D20 (1)
Weight, g/mol:	394.175339
ΔH_f, kcal/mol:	-41.11
Dipole, Da:	4.11
IP(EA), eV:	-9.82(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1-ethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCN1C2=C(C(=CC(=N2)C3CC3)C(=O)N4CCC5=CN=CN=C5C4)C(=O)NC1=O

DOS

IR

Vibrations