Geometry & MOs

Info

ID:	221797
PubChem CID:	85286153
Reduced:	FeN2O4C36H44 (1)
Stoich.:	AB2C4D36E44 (1)
Weight, g/mol:	503.290983
ΔH_f, kcal/mol:	-88.77
Dipole, Da:	6.64
IP(EA), eV:	-6.89(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC1(COC(O1)(C)C)CC2CC(=C3C4(C2N(CC4)C(C)[C]5[CH][CH][CH][CH]5)C6=CC=CC=C6N3)C(=O)OC.[CH]1[CH][CH][CH][CH]1.[Fe+2]

DOS

IR

Vibrations