Geometry & MOs

Info

ID:	164675
PubChem CID:	74436581
Reduced:	FeNP2O4C55H63 (1)
Stoich.:	ABC2D4E55F63 (1)
Weight, g/mol:	798.384108
ΔH_f, kcal/mol:	143.74
Dipole, Da:	17.59
IP(EA), eV:	-5.18(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

CC1=CC(=CC(=C1OC)C)P(C2=CC=CC=C2C([C]3[CH][CH][CH][C]3P(C4=CC(=C(C(=C4)C)OC)C)C5=CC(=C(C(=C5)C)OC)C)N(C)C)C6=CC(=C(C(=C6)C)OC)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]

DOS

IR

Vibrations