Geometry & MOs

Info

ID:	304486
PubChem CID:	124753432
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	352.226312
ΔH_f, kcal/mol:	-50.89
Dipole, Da:	4.23
IP(EA), eV:	-8.78(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]methyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one

Drug info:

PubChemData

Smile

CN(C)[C@@H]1CCN(C1)CC(=O)N(C)CC2=COC=C2

DOS

IR

Vibrations