Geometry & MOs

Info

ID:

216174

PubChem CID:

85085831

Reduced:

NH6C8 (1)

Stoich.:

AB6C8 (1)

Weight, g/mol:

237.115364

ΔHf, kcal/mol:

94.65

Dipole, Da:

3.87

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.011735

Charge, e:

 0

Chem-info

IUPAC name:

4-methyl-2-(2-phenylethenyl)benzamide

Drug info:

PubChemData

Smile

[CH]1[CH][CH][C]([CH]1)C=CC#N

DOS

IR

Vibrations