Geometry & MOs

Info

ID:	440055
PubChem CID:	135229940
Reduced:	OF4N5C29H33 (1)
Stoich.:	AB4C5D29E33 (1)
Weight, g/mol:	432.098702
ΔH_f, kcal/mol:	-155.01
Dipole, Da:	5.2
IP(EA), eV:	-8.66(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-2-methylphenyl)sulfanyl-5-[(3,6-difluoro-2-methylphenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine

Drug info:

PubChemData

Smile

C/C=C(/C1=CC=C(C=C1)C(=O)N2CCN(CC2)C)\N=C3C(=C)NCCCN3CC4=C(C=CC(=C4)F)C(F)(F)F

DOS

IR

Vibrations