Geometry & MOs

Info

ID:	305973
PubChem CID:	124976789
Reduced:	O2N5C15H21 (1)
Stoich.:	A2B5C15D21 (1)
Weight, g/mol:	335.097349
ΔH_f, kcal/mol:	-20.32
Dipole, Da:	6.66
IP(EA), eV:	-9.09(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-ethylsulfonyl-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C(=O)N2CCOC[C@@H]2C3=C(C=NN3)C)C

DOS

IR

Vibrations