Geometry & MOs

Info

ID:	386615
PubChem CID:	134982340
Reduced:	NH9C14 (1)
Stoich.:	AB9C14 (1)
Weight, g/mol:	288.01498
ΔH_f, kcal/mol:	79.19
Dipole, Da:	4.08
IP(EA), eV:	-8.74(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxycyclohepta-1,3,5-triene

Drug info:

PubChemData

Smile

C1C=C(C2=CC=CC3=C2C1=CC=C3)C#N

DOS

IR

Vibrations