Geometry & MOs

Info

ID:

88537

PubChem CID:

49955244

Reduced:

ClNO3C16H21 (1)

Stoich.:

ABC3D16E21 (1)

Weight, g/mol:

284.065

ΔHf, kcal/mol:

-70.69

Dipole, Da:

4.28

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750085

Charge, e:

 -1

Chem-info

IUPAC name:

8-methoxy-2,2,4-trimethyl-3,4-dihydro-1H-quinoline;bromide

Drug info:

PubChemData

Smile

CC(CNCC1=CC=C(O1)C2=CC=C(C=C2)C(C)O)O.[Cl-]

DOS

IR

Vibrations