Geometry & MOs

Info

ID:	440985
PubChem CID:	135232585
Reduced:	N2O2H30C49 (1)
Stoich.:	A2B2C30D49 (1)
Weight, g/mol:	682.262028
ΔH_f, kcal/mol:	145.47
Dipole, Da:	2.49
IP(EA), eV:	-8.07(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6-bis[4-(N-phenylanilino)phenyl]xanthen-9-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C(=O)C6=C(C=CC=C6O5)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations