Geometry & MOs

Info

ID:	448615
PubChem CID:	135292252
Reduced:	ON6C26H34 (1)
Stoich.:	AB6C26D34 (1)
Weight, g/mol:	195.98876
ΔH_f, kcal/mol:	139.14
Dipole, Da:	1.97
IP(EA), eV:	-8.73(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-bromo-5-prop-2-enylidenecyclohexa-1,3-diene

Drug info:

PubChemData

Smile

CC/C(=N\C(=C(/C=N\N=C(C=C)C=C)\C#N)\N1CCN([C@@H](C1)C2CC2)C(=O)C3CC3)/C4CC4

DOS

IR

Vibrations