Geometry & MOs

Info

ID:	180789
PubChem CID:	76685866
Reduced:	IrF4N4H14C21 (1)
Stoich.:	AB4C4D14E21 (1)
Weight, g/mol:	666.642715
ΔH_f, kcal/mol:	126.24
Dipole, Da:	13.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.921041
Charge, e:	0

Chem-info

IUPAC name:

4-heptatriaconta-6,9,28,31-tetraen-19-yloxyimino-N,N-dimethylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CNC1=CC(=NC=C1)C2=C(C=C(C=[C-]2)F)F.C1=CN(N=C1)C2=C(C=C(C=[C-]2)F)F.[Ir]

DOS

IR

Vibrations