Geometry & MOs

Info

ID:	293645
PubChem CID:	117395000
Reduced:	ClO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	256.066636
ΔH_f, kcal/mol:	-132.87
Dipole, Da:	3.48
IP(EA), eV:	-8.58(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1CCC=O)OCCO2)Cl

DOS

IR

Vibrations