Geometry & MOs

Info

ID:	391302
PubChem CID:	135004214
Reduced:	FeNOH37C40 (1)
Stoich.:	ABCD37E40 (1)
Weight, g/mol:	482.24839
ΔH_f, kcal/mol:	302.39
Dipole, Da:	6.27
IP(EA), eV:	-6.79(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCN1C(OC2=C(C=C(C2=C1C3=CC=CC=C3)C4=CC=CC=C4)C5=C[CH]C=C5)C6=CC=C(C=C6)C.C1=C[CH]C=C1.[Fe]

DOS

IR

Vibrations