Geometry & MOs

Info

ID:	311897
PubChem CID:	126599133
Reduced:	N2O3F4H22C27 (1)
Stoich.:	A2B3C4D22E27 (1)
Weight, g/mol:	486.215472
ΔH_f, kcal/mol:	-216.44
Dipole, Da:	4.54
IP(EA), eV:	-8.37(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,6-bis(3-methoxyazetidin-1-yl)-3-methylxanthen-9-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1(C=CC2=C(C3=C(C=C(C=C3)N4CC(C4)(F)F)OC2=C1)C5=CC=CC=C5C(=O)O)N6CC(C6)(F)F

DOS

IR

Vibrations