Geometry & MOs

Info

ID:	28990
PubChem CID:	831021
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	218.100346
ΔH_f, kcal/mol:	-103.74
Dipole, Da:	6.49
IP(EA), eV:	-9.4(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5,5-dimethyl-3,6-dihydro-2H-[1,3]thiazolo[2,3-a]isoquinolin-4-ium

Drug info:

PubChemData

Smile

CCCC1(C(=O)NC(=NC1=O)NC2=CC=C(C=C2)OC)CCC

DOS

IR

Vibrations