Geometry & MOs

Info

ID:	371613
PubChem CID:	131269097
Reduced:	Br2F2O2H4C9 (1)
Stoich.:	A2B2C2D4E9 (1)
Weight, g/mol:	341.85256
ΔH_f, kcal/mol:	-127.87
Dipole, Da:	4.2
IP(EA), eV:	-10.38(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dibromo-4,5-difluorophenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=C1F)Br)Br)C=CC(=O)O)F

DOS

IR

Vibrations