Geometry & MOs

Info

ID:

144339

PubChem CID:

53351825

Reduced:

Cl2N2C11H11 (1)

Stoich.:

A2B2C11D11 (1)

Weight, g/mol:

304.029594

ΔHf, kcal/mol:

32.93

Dipole, Da:

3.08

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.261339

Charge, e:

 -1

Chem-info

IUPAC name:

(3-chlorophenyl)-isoquinolin-1-ylmethanol;chloride

Drug info:

PubChemData

Smile

C1CNCC2=C1C3=C(N2)C=CC(=C3)Cl.[Cl-]

DOS

IR

Vibrations