Geometry & MOs

Info

ID:	71057
PubChem CID:	48414230
Reduced:	ON5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	362.141262
ΔH_f, kcal/mol:	15.94
Dipole, Da:	4.47
IP(EA), eV:	-9.16(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations