Geometry & MOs

Info

ID:	345799
PubChem CID:	127270099
Reduced:	OSN7C13H19 (1)
Stoich.:	ABC7D13E19 (1)
Weight, g/mol:	391.16444
ΔH_f, kcal/mol:	62.02
Dipole, Da:	6.91
IP(EA), eV:	-9.52(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-imidazol-1-ylpiperidin-1-yl)-2-oxoethyl]-4H-pyrazino[1,2-a]indole-1,3-dione

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCCC(=O)N2CCC(CC2)N3C=CN=C3

DOS

IR

Vibrations