Geometry & MOs

Info

ID:	349519
PubChem CID:	127275406
Reduced:	OSN4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	310.154209
ΔH_f, kcal/mol:	3.35
Dipole, Da:	4.51
IP(EA), eV:	-8.77(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)N=C(S2)NC(=O)N3CCC(CC3)C#N

DOS

IR

Vibrations