Geometry & MOs

Info

ID:	333514
PubChem CID:	127252066
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	441.18009
ΔH_f, kcal/mol:	-84.6
Dipole, Da:	2.79
IP(EA), eV:	-9.45(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-methyl-7-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=N2)C3CCN(C3)C(=O)CCC4=CC=CC=C4)C(=O)N(C1=O)C

DOS

IR

Vibrations