Geometry & MOs

Info

ID:	330372
PubChem CID:	127247359
Reduced:	ON5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	337.157246
ΔH_f, kcal/mol:	28.81
Dipole, Da:	5.76
IP(EA), eV:	-8.54(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)CC3=C(N=C4N3C=CC=C4)C

DOS

IR

Vibrations