Geometry & MOs

Info

ID:	359983
PubChem CID:	127300127
Reduced:	BrSN3O3C13H20 (1)
Stoich.:	ABC3D3E13F20 (1)
Weight, g/mol:	389.07726
ΔH_f, kcal/mol:	-94.79
Dipole, Da:	4.69
IP(EA), eV:	-9.39(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromopyrazol-1-yl)-1-(cyclohexylmethylsulfonyl)piperidine

Drug info:

PubChemData

Smile

C1CC(OC1)CS(=O)(=O)N2CCC(CC2)N3C=C(C=N3)Br

DOS

IR

Vibrations