Geometry & MOs

Info

ID:	70904
PubChem CID:	48414025
Reduced:	O2N3C19H19 (1)
Stoich.:	A2B3C19D19 (1)
Weight, g/mol:	418.203862
ΔH_f, kcal/mol:	0.65
Dipole, Da:	6.83
IP(EA), eV:	-9.19(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations