Geometry & MOs

Info

ID:	306076
PubChem CID:	125001574
Reduced:	ON4C18H24 (1)
Stoich.:	AB4C18D24 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-1.5
Dipole, Da:	5.47
IP(EA), eV:	-9.22(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)CCCN2C=CN=C2)CC3=CN=CC=C3

DOS

IR

Vibrations