Geometry & MOs

Info

ID:	73050
PubChem CID:	48416881
Reduced:	SO2F3N5H10C15 (1)
Stoich.:	AB2C3D5E10F15 (1)
Weight, g/mol:	268.132411
ΔH_f, kcal/mol:	-144.07
Dipole, Da:	3.94
IP(EA), eV:	-9.45(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(2,4-dimethylphenyl)propanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(F)(F)F)NC(=O)C(S2)CC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations