Geometry & MOs

Info

ID:	332879
PubChem CID:	127251303
Reduced:	O3N4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	394.164105
ΔH_f, kcal/mol:	-70.95
Dipole, Da:	2.97
IP(EA), eV:	-9.52(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations