Geometry & MOs

Info

ID:

407114

PubChem CID:

135079352

Reduced:

N2O2C12H15 (1)

Stoich.:

A2B2C12D15 (1)

Weight, g/mol:

279.162314

ΔHf, kcal/mol:

-14.88

Dipole, Da:

3.35

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.879227

Charge, e:

 0

Chem-info

IUPAC name:

N-benzyl-1-[3-[(Z)-but-2-en-2-yl]oxyphenyl]ethanimine

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC=C1/C(=C(/C)\[N+]#N)/O

DOS

IR

Vibrations