Geometry & MOs

Info

ID:	359982
PubChem CID:	127300126
Reduced:	SN3O4C16H23 (1)
Stoich.:	AB3C4D16E23 (1)
Weight, g/mol:	377.04088
ΔH_f, kcal/mol:	-144.48
Dipole, Da:	1.29
IP(EA), eV:	-8.87(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromopyrazol-1-yl)-1-(oxolan-2-ylmethylsulfonyl)piperidine

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)NC2CCN(C2=O)C3=CC=CC=C3

DOS

IR

Vibrations