Geometry & MOs

Info

ID:	333510
PubChem CID:	127252062
Reduced:	ClO3N4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	-76.4
Dipole, Da:	5.67
IP(EA), eV:	-9.37(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-7-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=N2)C3CN(CCO3)CC4=CC=C(C=C4)Cl)C(=O)N(C1=O)C

DOS

IR

Vibrations