Geometry & MOs

Info

ID:	326147
PubChem CID:	126686753
Reduced:	O2F3N4H19C21 (1)
Stoich.:	A2B3C4D19E21 (1)
Weight, g/mol:	251.064095
ΔH_f, kcal/mol:	-136.98
Dipole, Da:	7.43
IP(EA), eV:	-9.16(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(azidomethyl)-4-fluorothiophen-2-yl]-1,3-dimethylpyrazole

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C2=CC(=C(C=C2)CN3CC4=C(C3=O)C(=NC=C4)OCC(F)F)F

DOS

IR

Vibrations