Geometry & MOs

Info

ID:	332884
PubChem CID:	127251308
Reduced:	O3N5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	396.159769
ΔH_f, kcal/mol:	-71.74
Dipole, Da:	3.16
IP(EA), eV:	-9.48(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=N2)C3CCN(C3)C(=O)CC4=CC=CC=N4)C(=O)N(C1=O)C

DOS

IR

Vibrations