Geometry & MOs

Info

ID:

393231

PubChem CID:

135019785

Reduced:

OCl2N2C5H5 (1)

Stoich.:

AB2C2D5E5 (1)

Weight, g/mol:

161.060255

ΔHf, kcal/mol:

-12.59

Dipole, Da:

4.95

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.905431

Charge, e:

 1

Chem-info

IUPAC name:

benzyl prop-2-enoate

Drug info:

PubChemData

Smile

C1=CN(C=[NH+]1)C(=O)C(Cl)Cl

DOS

IR

Vibrations