Geometry & MOs

Info

ID:	378145
PubChem CID:	134224219
Reduced:	FN3O3H24C25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	430.178024
ΔH_f, kcal/mol:	-31.2
Dipole, Da:	6.0
IP(EA), eV:	-9.09(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] hexanoate

Drug info:

PubChemData

Smile

CC(C)OC/C=C/1\C(=C/CN2C3=CC=CC=C3N=N2)\OC(=C1C(=O)C)C4=CC=C(C=C4)F

DOS

IR

Vibrations