Geometry & MOs

Info

ID:	15290
PubChem CID:	436246
Reduced:	FeNO2Cl5H19C24 (1)
Stoich.:	ABC2D5E19F24 (1)
Weight, g/mol:	585.917828
ΔH_f, kcal/mol:	-52.73
Dipole, Da:	10.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 3.074084
Charge, e:	1

Chem-info

IUPAC name:

(4-chlorophenyl)-(2-ethyl-3,4-diphenyl-1,2-oxazol-2-ium-5-yl)methanone;tetrachloroiron

Drug info:

PubChemData

Smile

CC[N+]1=C(C(=C(O1)C(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CC=CC=C4.Cl[Fe](Cl)(Cl)Cl

DOS

IR

Vibrations