Geometry & MOs

Info

ID:	45790
PubChem CID:	10517662
Reduced:	BrOC15H15 (1)
Stoich.:	ABC15D15 (1)
Weight, g/mol:	290.04186
ΔH_f, kcal/mol:	9.79
Dipole, Da:	2.75
IP(EA), eV:	-9.5(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-2-(2-bromo-N-methylanilino)hepta-2,4-dienenitrile

Drug info:

PubChemData

Smile

C1[C@H]2[C@H]3[C@@H]([C@H]1O)[C@H]4[C@@H]2[C@]4([C@H]3Br)C5=CC=CC=C5

DOS

IR

Vibrations