Geometry & MOs

Info

ID:	45791
PubChem CID:	10517663
Reduced:	BrN2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	291.017699
ΔH_f, kcal/mol:	75.17
Dipole, Da:	4.18
IP(EA), eV:	-8.66(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-2-cyano-1-phenylprop-1-enyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC/C=C/C=C(\C#N)/N(C)C1=CC=CC=C1Br

DOS

IR

Vibrations