Geometry & MOs

Info

ID:	329957
PubChem CID:	127246944
Reduced:	ON4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	335.114903
ΔH_f, kcal/mol:	37.39
Dipole, Da:	4.98
IP(EA), eV:	-8.39(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2CC3=CC4=CC=CC=C4OC3

DOS

IR

Vibrations