Geometry & MOs

Info

ID:

405518

PubChem CID:

135074304

Reduced:

FN2O2H8C9 (1)

Stoich.:

AB2C2D8E9 (1)

Weight, g/mol:

315.138992

ΔHf, kcal/mol:

-36.84

Dipole, Da:

4.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.823677

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-chlorophenyl)cyclohexyl]-4-methoxyaniline

Drug info:

PubChemData

Smile

CO/C(=C(/C1=CC(=CC=C1)F)\[N+]#N)/O

DOS

IR

Vibrations