Geometry & MOs

Info

ID:	306358
PubChem CID:	125003900
Reduced:	ON2C13H17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	-67.08
Dipole, Da:	10.33
IP(EA), eV:	-9.12(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)[C@H]2CCN(C2)C(=O)[C@@H](C)C3=CC=CC=C3)C)CC(=O)N4CCCCC4

DOS

IR

Vibrations