Geometry & MOs

Info

ID:	310400
PubChem CID:	126579801
Reduced:	SF2N2O4C15H16 (1)
Stoich.:	AB2C2D4E15F16 (1)
Weight, g/mol:	259.095691
ΔH_f, kcal/mol:	-168.92
Dipole, Da:	4.46
IP(EA), eV:	-9.29(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-ethyl-2-[(1-hydroxypyrazol-3-yl)oxymethyl]phenyl] cyanate

Drug info:

PubChemData

Smile

CCCOC(=O)C1=C(C(=CC=C1)SC(F)F)COC2=NN(C=C2)O

DOS

IR

Vibrations