Geometry & MOs

Info

ID:	310388
PubChem CID:	126579631
Reduced:	BrFN2O4H10C12 (1)
Stoich.:	ABC2D4E10F12 (1)
Weight, g/mol:	421.8763
ΔH_f, kcal/mol:	-90.89
Dipole, Da:	1.73
IP(EA), eV:	-9.52(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-iodobenzoyl bromide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)OCF)COC2=NN(C=C2)O)C(=O)Br

DOS

IR

Vibrations