Geometry & MOs

Info

ID:	333524
PubChem CID:	127252076
Reduced:	O3N4C25H28 (1)
Stoich.:	A3B4C25D28 (1)
Weight, g/mol:	446.231791
ΔH_f, kcal/mol:	-89.83
Dipole, Da:	1.4
IP(EA), eV:	-9.51(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-7-[1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-3-methylpyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(N=C(C=C2)C3CCN(C3)C(=O)C4CCCC4)N(C1=O)CC5=CC=CC=C5

DOS

IR

Vibrations