Geometry & MOs

Info

ID:	73210
PubChem CID:	48417207
Reduced:	SO4N5C17H19 (1)
Stoich.:	AB4C5D17E19 (1)
Weight, g/mol:	244.076039
ΔH_f, kcal/mol:	-65.68
Dipole, Da:	6.05
IP(EA), eV:	-9.57(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(2-fluorophenyl)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations