Geometry & MOs

Info

ID:	296904
PubChem CID:	117600278
Reduced:	BrFN2O3H10C12 (1)
Stoich.:	ABC2D3E10F12 (1)
Weight, g/mol:	251.094629
ΔH_f, kcal/mol:	-109.92
Dipole, Da:	4.8
IP(EA), eV:	-10.32(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-2-(4-pyridin-3-ylphenyl)ethane-1,2-dione

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C(CC(=O)O)C2=CC(=CC(=C2)Br)F

DOS

IR

Vibrations