Geometry & MOs

Info

ID:	389256
PubChem CID:	134991872
Reduced:	FeNOPC31H34 (2)
Stoich.:	ABCDE31F34 (2)
Weight, g/mol:	318.081272
ΔH_f, kcal/mol:	578.3
Dipole, Da:	23.45
IP(EA), eV:	-6.31(-4.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

C[C]1[CH][CH][CH][CH]1.C[C]1[CH][CH][CH][CH]1.CC1=CC(=CC(=C1)P([C]2[CH][CH][CH][C]2C(=O)N[C@@H]3CCCC[C@@H]3NC(=O)[C]4[CH][CH][CH][C]4P(C5=CC(=CC(=C5)C)C)C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C.[Fe].[Fe]

DOS

IR

Vibrations