Geometry & MOs

Info

ID:	309090
PubChem CID:	126536694
Reduced:	NH14C22 (2)
Stoich.:	AB14C22 (2)
Weight, g/mol:	712.262697
ΔH_f, kcal/mol:	277.98
Dipole, Da:	2.71
IP(EA), eV:	-8.38(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4-(9,9'-spirobi[fluorene]-4'-yl)quinazoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C(C=NC=C3)C(=C2)C4=CC=CC(=C4)C5=C6C7=CC=CC=C7C8=CC=CC=C8C9=CC=CC=C9C6=CC=C5

DOS

IR

Vibrations