Geometry & MOs

Info

ID:

144858

PubChem CID:

53425206

Reduced:

Cl2N2O3C17H29 (1)

Stoich.:

A2B2C3D17E29 (1)

Weight, g/mol:

193.029442

ΔHf, kcal/mol:

-149.67

Dipole, Da:

2.58

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.761537

Charge, e:

 0

Chem-info

IUPAC name:

3-chloro-7-methoxyisoquinoline

Drug info:

PubChemData

Smile

CCCOC1=C(C=CC(=C1)[NH3+])C(=O)OCCC[N+](CC)CC.[Cl-].[Cl-]

DOS

IR

Vibrations