Geometry & MOs

Info

ID:	142760
PubChem CID:	53086640
Reduced:	ClN4O4H17C18 (1)
Stoich.:	AB4C4D17E18 (1)
Weight, g/mol:	438.109483
ΔH_f, kcal/mol:	-42.79
Dipole, Da:	6.66
IP(EA), eV:	-9.56(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC(=C2C(=NOC2=N1)C3=CC=CC=C3Cl)N4CCOCC4

DOS

IR

Vibrations