Geometry & MOs

Info

ID:	330430
PubChem CID:	127247417
Reduced:	O2S2N3C12H15 (1)
Stoich.:	A2B2C3D12E15 (1)
Weight, g/mol:	299.163377
ΔH_f, kcal/mol:	-10.56
Dipole, Da:	4.15
IP(EA), eV:	-9.54(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(1H-pyrazol-5-yl)piperidine

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C3=CC=NN3

DOS

IR

Vibrations