Geometry & MOs

Info

ID:	364013
PubChem CID:	127313684
Reduced:	ON5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	306.088353
ΔH_f, kcal/mol:	44.52
Dipole, Da:	3.98
IP(EA), eV:	-9.45(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CC2=C(C1)NN=C2C(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations