Geometry & MOs

Info

ID:	172240
PubChem CID:	75483881
Reduced:	SN2O2C15H24 (1)
Stoich.:	AB2C2D15E24 (1)
Weight, g/mol:	299.17461
ΔH_f, kcal/mol:	-88.36
Dipole, Da:	4.61
IP(EA), eV:	-8.91(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-methylpyridin-3-yl)methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CCCCC1O)C(=O)NCCC2=CSC=C2

DOS

IR

Vibrations