Geometry & MOs

Info

ID:	407866
PubChem CID:	135080621
Reduced:	ClN3C10H10 (1)
Stoich.:	AB3C10D10 (1)
Weight, g/mol:	250.074924
ΔH_f, kcal/mol:	70.83
Dipole, Da:	4.43
IP(EA), eV:	-9.7(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(trifluoromethyl)-3-trimethylsilyl-1H-pyrazol-4-yl]ethanone

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C(C1N=[N+]=[N-])Cl

DOS

IR

Vibrations