Geometry & MOs

Info

ID:	147095
PubChem CID:	53786748
Reduced:	SN3O5C29H35 (1)
Stoich.:	AB3C5D29E35 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	-121.95
Dipole, Da:	10.33
IP(EA), eV:	-8.62(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,4,4-tetramethyl-1,2-dihydropyrazino[1,2-b]isoindol-6-ol

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)CCN=C2C(C#N)SCC(CN3CCOCC3)OC(=O)C4=CC=CC=C4)OCC

DOS

IR

Vibrations