Geometry & MOs

Info

ID:	414123
PubChem CID:	135087078
Reduced:	NSO2H15C17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	236.107539
ΔH_f, kcal/mol:	-11.51
Dipole, Da:	2.79
IP(EA), eV:	-8.86(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(2-methoxyphenyl)isoquinolin-2-ium

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2SC(=CC1=O)C3=CC(=CC=C3)OC

DOS

IR

Vibrations