Geometry & MOs

Info

ID:	436077
PubChem CID:	135193709
Reduced:	ClO2F3N5C22H23 (1)
Stoich.:	AB2C3D5E22F23 (1)
Weight, g/mol:	264.058658
ΔH_f, kcal/mol:	-182.29
Dipole, Da:	4.09
IP(EA), eV:	-8.7(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-fluorobenzo[a]xanthen-12-one

Drug info:

PubChemData

Smile

CCC1=C(N2C=C(C=NC2=N1)Cl)C(=O)NCC3=CC=C(C=C3)N4CCC(CC4)OC(F)(F)F

DOS

IR

Vibrations