Geometry & MOs

Info

ID:	347841
PubChem CID:	127272903
Reduced:	OSN3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	-35.38
Dipole, Da:	4.31
IP(EA), eV:	-8.85(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)N2CCC(CC2)(C)C

DOS

IR

Vibrations