Geometry & MOs

Info

ID:	183868
PubChem CID:	77083356
Reduced:	N2O2S2C15H20 (1)
Stoich.:	A2B2C2D15E20 (1)
Weight, g/mol:	351.20591
ΔH_f, kcal/mol:	-55.0
Dipole, Da:	4.83
IP(EA), eV:	-8.61(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1CCN(CC1)CC2=CC3=CC=CC=C3S2

DOS

IR

Vibrations