Geometry & MOs

Info

ID:

407118

PubChem CID:

135079356

Reduced:

N2O3C14H19 (1)

Stoich.:

A2B3C14D19 (1)

Weight, g/mol:

258.125594

ΔHf, kcal/mol:

-53.25

Dipole, Da:

4.47

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.771159

Charge, e:

 0

Chem-info

IUPAC name:

4-[(Z)-4-ethoxybut-2-enoxy]-1-phenylbut-2-yn-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCCC/C(=C(\O)/OC)/[N+]#N

DOS

IR

Vibrations