Geometry & MOs

Info

ID:	310390
PubChem CID:	126579656
Reduced:	ClFSN2O3H10C12 (1)
Stoich.:	ABCD2E3F10G12 (1)
Weight, g/mol:	291.076767
ΔH_f, kcal/mol:	-62.33
Dipole, Da:	2.92
IP(EA), eV:	-9.07(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(fluoromethyl)-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoyl azide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations