Geometry & MOs

Info

ID:	306366
PubChem CID:	125003939
Reduced:	ClO2N3H22C25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	302.13789
ΔH_f, kcal/mol:	12.13
Dipole, Da:	6.3
IP(EA), eV:	-9.34(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethyl-1,2-oxazol-4-yl)-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C1CCN([C@@H](C1)C2=NC=C(O2)CC3=CC=CC=C3Cl)C(=O)C4=NC5=CC=CC=C5C=C4

DOS

IR

Vibrations