Geometry & MOs

Info

ID:	122565
PubChem CID:	50812691
Reduced:	O3N5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	448.17467
ΔH_f, kcal/mol:	4.75
Dipole, Da:	7.28
IP(EA), eV:	-8.26(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1,7-dimethyl-3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=NN=N2)C3(CCCC3)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations