Geometry & MOs

Info

ID:	73233
PubChem CID:	48417247
Reduced:	ON4C14H14 (1)
Stoich.:	AB4C14D14 (1)
Weight, g/mol:	415.167811
ΔH_f, kcal/mol:	44.79
Dipole, Da:	4.85
IP(EA), eV:	-9.33(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(CC(=O)N1C(=C(C=N1)C#N)N)C2=CC=CC=C2

DOS

IR

Vibrations