Geometry & MOs

Info

ID:	319301
PubChem CID:	126655556
Reduced:	FN3C10H10 (1)
Stoich.:	AB3C10D10 (1)
Weight, g/mol:	189.171726
ΔH_f, kcal/mol:	28.01
Dipole, Da:	3.04
IP(EA), eV:	-8.54(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,4,4,5,5,6,6-octadeuterio-3-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(C(=N2)N)F

DOS

IR

Vibrations