Geometry & MOs

Info

ID:

88622

PubChem CID:

49955758

Reduced:

ClNO3C9H11 (1)

Stoich.:

ABC3D9E11 (1)

Weight, g/mol:

349.09551

ΔHf, kcal/mol:

-101.61

Dipole, Da:

3.05

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.020375

Charge, e:

 -1

Chem-info

IUPAC name:

6,7-dimethoxy-1-(2-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline;chloride

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCCN)C(=O)O.[Cl-]

DOS

IR

Vibrations