Geometry & MOs

Info

ID:	329806
PubChem CID:	127246673
Reduced:	ON4C20H20 (1)
Stoich.:	AB4C20D20 (1)
Weight, g/mol:	334.119654
ΔH_f, kcal/mol:	29.0
Dipole, Da:	6.0
IP(EA), eV:	-9.46(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-1,2-oxazol-5-yl)-1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)C(=O)C3=CC4=CC=CC=C4N=C3)C

DOS

IR

Vibrations