Geometry & MOs

Info

ID:	216207
PubChem CID:	85085892
Reduced:	OF5C10H11 (1)
Stoich.:	AB5C10D11 (1)
Weight, g/mol:	242.075451
ΔH_f, kcal/mol:	-266.04
Dipole, Da:	4.4
IP(EA), eV:	-10.88(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3,4-difluorophenyl)methyl]-3-hydroxyprop-2-enoate

Drug info:

PubChemData

Smile

C1CC2C3CC3C1C2(C(C(F)(F)F)(F)F)O

DOS

IR

Vibrations