Geometry & MOs

Info

ID:	64872
PubChem CID:	29204131
Reduced:	FNOSC16H18 (1)
Stoich.:	ABCDE16F18 (1)
Weight, g/mol:	297.184112
ΔH_f, kcal/mol:	-71.73
Dipole, Da:	4.69
IP(EA), eV:	-9.01(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(=O)C2=CC3=C(S2)C=C(C=C3)F)C

DOS

IR

Vibrations