Geometry & MOs

Info

ID:	295793
PubChem CID:	117544070
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	218.141913
ΔH_f, kcal/mol:	-26.51
Dipole, Da:	2.6
IP(EA), eV:	-8.38(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-(pyridin-4-ylmethyl)piperidin-3-one

Drug info:

PubChemData

Smile

CC1(C(CCCN1CC2=CNC3=CC=CC=C32)O)C

DOS

IR

Vibrations