Geometry & MOs

Info

ID:	329998
PubChem CID:	127246985
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	301.153875
ΔH_f, kcal/mol:	-16.64
Dipole, Da:	2.36
IP(EA), eV:	-8.46(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2CC3=C(C=CC=C3OC)OC

DOS

IR

Vibrations