Geometry & MOs

Info

ID:

399472

PubChem CID:

135040476

Reduced:

BOC10H20 (1)

Stoich.:

ABC10D20 (1)

Weight, g/mol:

259.082013

ΔHf, kcal/mol:

-84.73

Dipole, Da:

1.21

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755093

Charge, e:

 0

Chem-info

IUPAC name:

2,2-dimethyl-6-(trifluoromethoxy)-1,3-dihydroquinolin-4-one

Drug info:

PubChemData

Smile

[B-]1(C2CCCC1CCC2)(C)OC

DOS

IR

Vibrations