Geometry & MOs

Info

ID:	445729
PubChem CID:	135269135
Reduced:	F3N3O5C20H20 (1)
Stoich.:	A3B3C5D20E20 (1)
Weight, g/mol:	447.215806
ΔH_f, kcal/mol:	-298.87
Dipole, Da:	2.74
IP(EA), eV:	-9.48(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-7-(4-ethylphenoxy)-3-(3-hydroxypropyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN1C2=C(C3CCC3C(=N2)OC4=CC(=CC=C4)OC(F)(F)F)C(=O)N(C1=O)CCCO

DOS

IR

Vibrations