Geometry & MOs

Info

ID:	408819
PubChem CID:	135081588
Reduced:	FeBr2N3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	654.187197
ΔH_f, kcal/mol:	19.28
Dipole, Da:	2.68
IP(EA), eV:	-7.93(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(6Z)-6-(anilinomethylidene)-4-fluoro-2-propan-2-ylcyclohexa-2,4-dien-1-one;benzene;nickel;triphenylphosphane

Drug info:

PubChemData

Smile

CC(=NC)C1=NC(=CC=C1)C(=NC)C.[Fe](Br)Br

DOS

IR

Vibrations