Geometry & MOs

Info

ID:	424204
PubChem CID:	135121731
Reduced:	BrO2F3H4C8 (1)
Stoich.:	AB2C3D4E8 (1)
Weight, g/mol:	218.055464
ΔH_f, kcal/mol:	-197.49
Dipole, Da:	3.18
IP(EA), eV:	-9.93(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3,3-difluoro-3-(2-fluorophenyl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OC(=O)C(F)(F)F)Br

DOS

IR

Vibrations