Geometry & MOs

Info

ID:	446342
PubChem CID:	135274217
Reduced:	ClIO2N6C23H28 (1)
Stoich.:	ABC2D6E23F28 (1)
Weight, g/mol:	455.1674
ΔH_f, kcal/mol:	10.16
Dipole, Da:	3.92
IP(EA), eV:	-8.98(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

spiro[6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7,9,11,16,18,20(24),21-undecaene-15,9'-fluorene]

Drug info:

PubChemData

Smile

CC1COC(CN1C2=NC(=NC(=C2)N3C4=CC(=C(C=C4C=N3)Cl)C5CCNCC5)OC)(C)I

DOS

IR

Vibrations