Geometry & MOs

Info

ID:	439801
PubChem CID:	135229622
Reduced:	ClOF2N7C20H22 (1)
Stoich.:	ABC2D7E20F22 (1)
Weight, g/mol:	673.240565
ΔH_f, kcal/mol:	-24.91
Dipole, Da:	4.63
IP(EA), eV:	-8.08(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)carbazole

Drug info:

PubChemData

Smile

C1CN(C2=NC(=CN=C2N1)C3=CN(N=C3)CCNCCO)CC4=C(C=CC(=C4Cl)F)F

DOS

IR

Vibrations