Geometry & MOs

Info

ID:	21294
PubChem CID:	587868
Reduced:	F2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	242.111836
ΔH_f, kcal/mol:	-186.92
Dipole, Da:	1.78
IP(EA), eV:	-9.87(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 3-(2,5-difluorophenyl)propanoate

Drug info:

PubChemData

Smile

CCCCOC(=O)CCC1=C(C=CC(=C1)F)F

DOS

IR

Vibrations