Geometry & MOs

Info

ID:	309102
PubChem CID:	126537134
Reduced:	ClFO2N7C28H33 (1)
Stoich.:	ABC2D7E28F33 (1)
Weight, g/mol:	712.287849
ΔH_f, kcal/mol:	-27.24
Dipole, Da:	1.51
IP(EA), eV:	-9.17(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(9,9-dimethylfluoren-4-yl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)quinazoline

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](C2=NC=CC(=C2)C(CNC1=O)(C)C)N3CCC(=CC3=O)C4=C(C=CC(=C4F)Cl)N5C=NNN5

DOS

IR

Vibrations