Geometry & MOs

Info

ID:	309107
PubChem CID:	126537276
Reduced:	O2N5C25H35 (1)
Stoich.:	A2B5C25D35 (1)
Weight, g/mol:	621.220498
ΔH_f, kcal/mol:	-34.89
Dipole, Da:	4.12
IP(EA), eV:	-8.33(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(9,9'-spirobi[fluorene]-4'-yl)quinazolin-4-yl]phenanthridine

Drug info:

PubChemData

Smile

CCCCC(CC1=CNC2=CC=CC=C21)NC(=O)C3=CN=C(O3)N4CCN(CC4)CCC

DOS

IR

Vibrations