Geometry & MOs

Info

ID:	330019
PubChem CID:	127247006
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	313.153875
ΔH_f, kcal/mol:	-23.87
Dipole, Da:	4.93
IP(EA), eV:	-8.77(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methoxypyridin-3-yl)-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2CC3=CC(=CC=C3)OCCO

DOS

IR

Vibrations