Geometry & MOs

Info

ID:	309087
PubChem CID:	126536658
Reduced:	ON5H35C60 (1)
Stoich.:	AB5C35D60 (1)
Weight, g/mol:	478.123676
ΔH_f, kcal/mol:	305.09
Dipole, Da:	4.25
IP(EA), eV:	-8.71(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(9,9'-spirobi[fluorene]-4'-yl)quinazoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC4=C(C=C3)C5=CC=CC=C5C46C7=CC=CC=C7C8=C(C=CC=C68)C9=NC1=CC=CC=C1C(=N9)C1=CC=CC2=C1OC1=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations