Geometry & MOs

Info

ID:	143555
PubChem CID:	53226796
Reduced:	OH7C9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	272.121258
ΔH_f, kcal/mol:	-29.31
Dipole, Da:	4.97
IP(EA), eV:	-9.1(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenyl)-6-fluorobenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C(=O)O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations