Geometry & MOs

Info

ID:	442953
PubChem CID:	135257075
Reduced:	F3O3N6C19H21 (1)
Stoich.:	A3B3C6D19E21 (1)
Weight, g/mol:	169.146664
ΔH_f, kcal/mol:	-174.05
Dipole, Da:	0.96
IP(EA), eV:	-8.34(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3,3-trimethylpiperidin-4-yl)ethanone

Drug info:

PubChemData

Smile

CN(C)/C=N/C1=C2C(=CN(C2=NC=N1)[C@H]3CC[C@H](O3)CO)C#CCNC(=O)C(F)(F)F

DOS

IR

Vibrations