Geometry & MOs

Info

ID:

399082

PubChem CID:

135037542

Reduced:

OC10H11 (1)

Stoich.:

AB10C11 (1)

Weight, g/mol:

245.105193

ΔHf, kcal/mol:

26.44

Dipole, Da:

0.87

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.808471

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 1-isocyanato-2-phenylcyclobutane-1-carboxylate

Drug info:

PubChemData

Smile

C1C[OH+]C(=C1)C2=CC=CC=C2

DOS

IR

Vibrations