Geometry & MOs

Info

ID:

399710

PubChem CID:

135041953

Reduced:

NO2C11H14 (1)

Stoich.:

AB2C11D14 (1)

Weight, g/mol:

261.090212

ΔHf, kcal/mol:

-30.71

Dipole, Da:

1.59

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.970077

Charge, e:

 0

Chem-info

IUPAC name:

N-benzyl-N,4-dicyanobenzamide

Drug info:

PubChemData

Smile

CC(C)([C@@H]1COC(=C2C=CC=C2)[N-]1)O

DOS

IR

Vibrations