Geometry & MOs

Info

ID:	21356
PubChem CID:	587996
Reduced:	FOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	228.096186
ΔH_f, kcal/mol:	-178.59
Dipole, Da:	3.22
IP(EA), eV:	-10.32(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentan-2-yl 2,6-difluorobenzoate

Drug info:

PubChemData

Smile

CCCC(C)OC(=O)C1=C(C=CC=C1F)F

DOS

IR

Vibrations