Geometry & MOs

Info

ID:	73346
PubChem CID:	48417485
Reduced:	SO2N6H12C14 (1)
Stoich.:	AB2C6D12E14 (1)
Weight, g/mol:	262.06776
ΔH_f, kcal/mol:	80.54
Dipole, Da:	3.36
IP(EA), eV:	-9.32(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(2,2,2-trifluoroethoxy)propanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=NOC(=N2)CCCC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations