Geometry & MOs

Info

ID:	421848
PubChem CID:	135116717
Reduced:	NF4O4C14H15 (1)
Stoich.:	AB4C4D14E15 (1)
Weight, g/mol:	320.221226
ΔH_f, kcal/mol:	-348.45
Dipole, Da:	6.72
IP(EA), eV:	-9.84(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,4-dimethylpiperidin-4-yl)-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN([C@H]1COC[C@@H]1O)C(=O)C2=CC=CC=C2OC(C(F)F)(F)F

DOS

IR

Vibrations