Geometry & MOs

Info

ID:	319318
PubChem CID:	126655635
Reduced:	FON3C9H14 (1)
Stoich.:	ABC3D9E14 (1)
Weight, g/mol:	279.218676
ΔH_f, kcal/mol:	-62.94
Dipole, Da:	2.79
IP(EA), eV:	-9.57(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(1-benzylpyrazol-3-yl)-2,2,4,4,5,5,6,6-octadeuterio-3-methylpiperidin-3-ol

Drug info:

PubChemData

Smile

CC1(CN(CCC1F)C2=CC=NN2)O

DOS

IR

Vibrations