Geometry & MOs

Info

ID:	394487
PubChem CID:	135023097
Reduced:	SO8H28C33 (1)
Stoich.:	AB8C28D33 (1)
Weight, g/mol:	377.171771
ΔH_f, kcal/mol:	-226.08
Dipole, Da:	4.05
IP(EA), eV:	-8.9(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6,7,8-tetradeuterio-2-oxido-1,3,4-triphenylisoquinolin-2-ium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)O[C@@H]2C(O[C@H](C(C2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)SC5=CC=CC=C5)CO

DOS

IR

Vibrations