Geometry & MOs

Info

ID:	329716
PubChem CID:	127246583
Reduced:	OSN3C17H19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	13.84
Dipole, Da:	6.08
IP(EA), eV:	-8.96(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)C3=CC4=C(S3)CCC4

DOS

IR

Vibrations