Geometry & MOs

Info

ID:	323114
PubChem CID:	126672642
Reduced:	ClN2F3O3H14C19 (1)
Stoich.:	AB2C3D3E14F19 (1)
Weight, g/mol:	352.142307
ΔH_f, kcal/mol:	-181.64
Dipole, Da:	2.76
IP(EA), eV:	-9.27(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-hydroxy-5-methoxyindol-1-yl)-5-methylphenyl]azetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C(CN1C2=CC(=CC(=C2)C3=CN(C4=C3C=CC(=C4)C(F)(F)F)O)Cl)C(=O)O

DOS

IR

Vibrations