Geometry & MOs

Info

ID:	350585
PubChem CID:	127278620
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	384.183127
ΔH_f, kcal/mol:	2.15
Dipole, Da:	5.08
IP(EA), eV:	-9.01(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(oxan-2-ylmethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NN1)NC(=O)C2=CC=CC3=C2CCC3

DOS

IR

Vibrations