Geometry & MOs

Info

ID:

230196

PubChem CID:

87570402

Reduced:

NO2C16H16 (1)

Stoich.:

AB2C16D16 (1)

Weight, g/mol:

303.99603

ΔHf, kcal/mol:

13.87

Dipole, Da:

6.17

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.966503

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 2-methylprop-2-enoate;hydroiodide

Drug info:

PubChemData

Smile

C1[C@@H]([N@+]1(CC2=CC=CC=C2)C(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations