Geometry & MOs

Info

ID:	260641
PubChem CID:	103198579
Reduced:	ON4C13H20 (1)
Stoich.:	AB4C13D20 (1)
Weight, g/mol:	277.153875
ΔH_f, kcal/mol:	-22.94
Dipole, Da:	3.06
IP(EA), eV:	-8.1(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-methoxy-6-(methylamino)pyrimidin-4-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CNC1=NC(=CC=C1)N2CCCC(C2)C(=O)NC

DOS

IR

Vibrations