Geometry & MOs

Info

ID:	412261
PubChem CID:	135085145
Reduced:	FePC22H31 (1)
Stoich.:	ABC22D31 (1)
Weight, g/mol:	780.267684
ΔH_f, kcal/mol:	188.99
Dipole, Da:	8.86
IP(EA), eV:	-7.03(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CCC(CC1)P(C2CCCCC2)C3=CC=C[CH]3.C1=C[CH]C=C1.[Fe]

DOS

IR

Vibrations