Geometry & MOs

Info

ID:	126113
PubChem CID:	50952080
Reduced:	ON5H19C21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	75.42
Dipole, Da:	3.86
IP(EA), eV:	-8.89(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(pyridin-2-ylmethylamino)benzoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

Drug info:

PubChemData

Smile

C1C(C2=C(CNC1=O)N=C3N2C=CC=C3)C4=CC=CC=C4CN5C=CC=N5

DOS

IR

Vibrations