Geometry & MOs

Info

ID:	347252
PubChem CID:	127271793
Reduced:	OS2N5C17H23 (1)
Stoich.:	AB2C5D17E23 (1)
Weight, g/mol:	238.204513
ΔH_f, kcal/mol:	31.84
Dipole, Da:	2.25
IP(EA), eV:	-8.61(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,2-dimethylbutan-1-one

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)N2CCN3CCCCC3C2)C4=CC=CS4

DOS

IR

Vibrations