Geometry & MOs

Info

ID:	309086
PubChem CID:	126536619
Reduced:	ISO2C7H9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	841.284161
ΔH_f, kcal/mol:	-57.61
Dipole, Da:	1.48
IP(EA), eV:	-9.13(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-dibenzofuran-4-yl-2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-4'-yl]quinazoline

Drug info:

PubChemData

Smile

CC1=C(SC=C1C(O)OC)I

DOS

IR

Vibrations