Geometry & MOs

Info

ID:	411767
PubChem CID:	135084601
Reduced:	OC5H11 (2)
Stoich.:	AB5C11 (2)
Weight, g/mol:	240.096186
ΔH_f, kcal/mol:	-137.29
Dipole, Da:	1.06
IP(EA), eV:	-9.98(2.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-(2,2-difluoroethenyl)phenyl]propanoate

Drug info:

PubChemData

Smile

CCCCCC[C@H]([C@@H](CC)O)O

DOS

IR

Vibrations