Geometry & MOs

Info

ID:

399510

PubChem CID:

135040632

Reduced:

NO2C13H16 (1)

Stoich.:

AB2C13D16 (1)

Weight, g/mol:

217.110279

ΔHf, kcal/mol:

-56.87

Dipole, Da:

1.9

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.076392

Charge, e:

 0

Chem-info

IUPAC name:

5-methyl-2,3,4,5a-tetrahydropyrano[2,3-b]quinolin-5-ol

Drug info:

PubChemData

Smile

CC1(C2C=CC=CC2=[NH+]C3=C1CCCO3)O

DOS

IR

Vibrations