Geometry & MOs

Info

ID:	27321
PubChem CID:	820604
Reduced:	NO5C11H13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	175.063329
ΔH_f, kcal/mol:	-201.07
Dipole, Da:	5.85
IP(EA), eV:	-10.39(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-2-oxidoisoquinolin-2-ium

Drug info:

PubChemData

Smile

CCN1[C@@H]2CC=C([C@@H]([C@@H]2C(=O)O)C1=O)C(=O)O

DOS

IR

Vibrations