Geometry & MOs

Info

ID:	126043
PubChem CID:	50949421
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	301.215413
ΔH_f, kcal/mol:	8.79
Dipole, Da:	6.78
IP(EA), eV:	-8.82(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine

Drug info:

PubChemData

Smile

CC1=C2C(CC(=O)N=C2N(N1)C(C)C)C3=CC(=CC=C3)OCC4=CC=CC=N4

DOS

IR

Vibrations