Geometry & MOs

Info

ID:	177429
PubChem CID:	76184373
Reduced:	BrO6H15C17 (1)
Stoich.:	AB6C15D17 (1)
Weight, g/mol:	388.139627
ΔH_f, kcal/mol:	-186.02
Dipole, Da:	2.18
IP(EA), eV:	-8.73(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-hydroxy-3-[2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)acetyl]-6-methylpyran-2-one

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(C=CC2=CC(=C(C=C2Br)OC)OC)O)C(=O)O1

DOS

IR

Vibrations