Geometry & MOs

Info

ID:	401104
PubChem CID:	135050134
Reduced:	N2O2Cl3H3C6 (1)
Stoich.:	A2B2C3D3E6 (1)
Weight, g/mol:	586.13285
ΔH_f, kcal/mol:	9.65
Dipole, Da:	2.4
IP(EA), eV:	-11.38(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-7-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetonitrile;iodide

Drug info:

PubChemData

Smile

C1=C(C=NC=C1[N+](=O)[O-])C(Cl)(Cl)Cl

DOS

IR

Vibrations