Geometry & MOs

Info

ID:	125757
PubChem CID:	50937068
Reduced:	O3H18C19 (1)
Stoich.:	A3B18C19 (1)
Weight, g/mol:	881.72682
ΔH_f, kcal/mol:	-29.0
Dipole, Da:	1.87
IP(EA), eV:	-7.92(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[[(Z)-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamoyl]phenolate;iron(3+)

Drug info:

PubChemData

Smile

COC1=C2C=CC=C(C2=C(C3=CC=CC=C31)OC)OCC=C

DOS

IR

Vibrations