Geometry & MOs

Info

ID:

136745

PubChem CID:

52093209

Reduced:

ClN2O2H16C17 (1)

Stoich.:

AB2C2D16E17 (1)

Weight, g/mol:

295.095691

ΔHf, kcal/mol:

-18.91

Dipole, Da:

4.6

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.237765

Charge, e:

 0

Chem-info

IUPAC name:

6-methoxy-N-(4-nitrophenyl)quinolin-4-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=[NH+]C=C2)Cl)OC

DOS

IR

Vibrations