Geometry & MOs

Info

ID:	70959
PubChem CID:	48414103
Reduced:	FO2N4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	362.141262
ΔH_f, kcal/mol:	-94.18
Dipole, Da:	6.86
IP(EA), eV:	-9.38(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2F

DOS

IR

Vibrations