Geometry & MOs

Info

ID:	346483
PubChem CID:	127270987
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	-130.48
Dipole, Da:	8.47
IP(EA), eV:	-9.22(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]-4H-pyrazino[1,2-a]indole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)N2CCCC2CN3CCCC3

DOS

IR

Vibrations