Geometry & MOs

Info

ID:	142122
PubChem CID:	52985591
Reduced:	SN2O3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	414.161329
ΔH_f, kcal/mol:	-74.38
Dipole, Da:	5.91
IP(EA), eV:	-9.5(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one

Drug info:

PubChemData

Smile

C1CN2C(CN(CC2=O)S(=O)(=O)CCC3=CC=CC=C3)C4=CC=CC=C41

DOS

IR

Vibrations