Geometry & MOs

Info

ID:	293063
PubChem CID:	117373191
Reduced:	OF2H14C15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-107.19
Dipole, Da:	1.91
IP(EA), eV:	-9.53(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-carboxycyclobutyl)-2,3-dimethylbenzoic acid

Drug info:

PubChemData

Smile

CC(CO)C1=C(C=CC(=C1)C2=CC=C(C=C2)F)F

DOS

IR

Vibrations