Geometry & MOs

Info

ID:	310387
PubChem CID:	126579608
Reduced:	ClN2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	343.9808
ΔH_f, kcal/mol:	10.44
Dipole, Da:	2.71
IP(EA), eV:	-9.18(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)COC2=NN(C=C2)O

DOS

IR

Vibrations