Geometry & MOs

Info

ID:	319385
PubChem CID:	126655837
Reduced:	ClOH17C20 (1)
Stoich.:	ABC17D20 (1)
Weight, g/mol:	343.11392
ΔH_f, kcal/mol:	-3.6
Dipole, Da:	2.18
IP(EA), eV:	-9.08(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-2-(2-chloro-6-fluorophenyl)-6-pyrrol-1-ylphenol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)C2=CC(=CC(=C2)C3=CC=CC=C3C)O

DOS

IR

Vibrations