Geometry & MOs

Info

ID:	193672
PubChem CID:	78422697
Reduced:	SN4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	316.154883
ΔH_f, kcal/mol:	88.06
Dipole, Da:	1.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.962799
Charge, e:	1

Chem-info

IUPAC name:

2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)-5-methoxyphenol

Drug info:

PubChemData

Smile

CC(=NN1CCN(CC1)C2=CC=CC=[NH+]2)C3=CC=CS3

DOS

IR

Vibrations