Geometry & MOs

Info

ID:	409892
PubChem CID:	135082679
Reduced:	BC27H45 (1)
Stoich.:	AB27C45 (1)
Weight, g/mol:	537.186494
ΔH_f, kcal/mol:	-37.88
Dipole, Da:	0.63
IP(EA), eV:	-9.1(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

iron(2+);tris[[(E)-[(3E)-3-hydrazinylidenebutan-2-ylidene]amino]oxy]-prop-2-enylboranuide;tetrafluoroborate

Drug info:

PubChemData

Smile

B([C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)([C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C)C5CCCCC=C5

DOS

IR

Vibrations