Geometry & MOs

Info

ID:	309097
PubChem CID:	126536997
Reduced:	NO3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	696.256549
ΔH_f, kcal/mol:	-147.15
Dipole, Da:	1.92
IP(EA), eV:	-9.37(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-2-[10-(9,9'-spirobi[fluorene]-4'-yl)anthracen-9-yl]quinazoline

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC1C[C@H]2CCC[C@@H](C1)N2O

DOS

IR

Vibrations