Geometry & MOs

Info

ID:	446863
PubChem CID:	135278324
Reduced:	ClFN3H11C18 (1)
Stoich.:	ABC3D11E18 (1)
Weight, g/mol:	431.155515
ΔH_f, kcal/mol:	81.13
Dipole, Da:	2.34
IP(EA), eV:	-7.84(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)-3-(4-piperidin-4-yloxyphenoxy)-1-benzothiophen-6-ol

Drug info:

PubChemData

Smile

C1=CC2=NC3=C(C=C(C=C3)Cl)NC(=C2C=C1F)C4=CC=NC=C4

DOS

IR

Vibrations