Geometry & MOs

Info

ID:	329978
PubChem CID:	127246965
Reduced:	ON5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	353.160023
ΔH_f, kcal/mol:	16.9
Dipole, Da:	4.98
IP(EA), eV:	-8.26(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2C(=O)CCN3CCC4=CC=CC=C43

DOS

IR

Vibrations