Geometry & MOs

Info

ID:	420250
PubChem CID:	135112065
Reduced:	O5N7C37H47 (1)
Stoich.:	A5B7C37D47 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-159.49
Dipole, Da:	4.5
IP(EA), eV:	-9.19(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(8-methoxyquinolin-2-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)C4=NNC5=C4CCC5

DOS

IR

Vibrations