Geometry & MOs

Info

ID:	374333
PubChem CID:	131326927
Reduced:	BrFN2O2H8C10 (1)
Stoich.:	ABC2D2E8F10 (1)
Weight, g/mol:	233.989528
ΔH_f, kcal/mol:	-62.16
Dipole, Da:	4.34
IP(EA), eV:	-9.38(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-chloro-2,4-difluorophenyl)-2-oxoacetate

Drug info:

PubChemData

Smile

CN1C2=C(C(=CC(=C2)F)Br)C(=N1)C(=O)OC

DOS

IR

Vibrations