Geometry & MOs

Info

ID:	142759
PubChem CID:	53086639
Reduced:	ClN4O4H19C22 (1)
Stoich.:	AB4C4D19E22 (1)
Weight, g/mol:	388.093833
ΔH_f, kcal/mol:	-26.34
Dipole, Da:	8.84
IP(EA), eV:	-9.31(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2-chlorophenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC(=C2C(=NOC2=N1)C3=CC=CC=C3Cl)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations