Geometry & MOs

Info

ID:

407411

PubChem CID:

135080038

Reduced:

NO2C13H18 (1)

Stoich.:

AB2C13D18 (1)

Weight, g/mol:

219.125929

ΔHf, kcal/mol:

-48.88

Dipole, Da:

1.65

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.036872

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,4-dimethoxyphenyl)cyclopentanimine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[NH+]=C2CCCC2)OC

DOS

IR

Vibrations