Geometry & MOs

Info

ID:	414625
PubChem CID:	135087584
Reduced:	ON4C23H28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	1.67
Dipole, Da:	3.44
IP(EA), eV:	-8.55(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4CC5=CC=CC=C5C4

DOS

IR

Vibrations