Geometry & MOs

Info

ID:	319288
PubChem CID:	126655540
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	211.132077
ΔH_f, kcal/mol:	-69.88
Dipole, Da:	2.74
IP(EA), eV:	-8.17(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3,4-dimethoxy-1-(1H-pyrazol-5-yl)piperidine

Drug info:

PubChemData

Smile

CS(=O)(=O)OC1CCN(CC1)C2=NN(C=C2)CC3=CC=CC=C3

DOS

IR

Vibrations