Geometry & MOs

Info

ID:	389184
PubChem CID:	134991421
Reduced:	FeNOP2C53H57 (1)
Stoich.:	ABCD2E53F57 (1)
Weight, g/mol:	720.352414
ΔH_f, kcal/mol:	65.3
Dipole, Da:	5.43
IP(EA), eV:	-6.54(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)P(C2=CC=CC=C2[C@H]([C]3[CH][CH][CH][C]3P(C4=CC(=CC(=C4)C)C)C5=CC(=CC(=C5)C)C)N6CCOCC6)C7=CC(=CC(=C7)C)C)C.[CH]1[CH][CH][CH][CH]1.[Fe]

DOS

IR

Vibrations