Geometry & MOs

Info

ID:	198094
PubChem CID:	79045530
Reduced:	FNOC16H22 (1)
Stoich.:	ABCD16E22 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	-86.38
Dipole, Da:	1.89
IP(EA), eV:	-8.86(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-piperidin-1-yl-1-pyrimidin-5-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)(C(=O)CC1=CC=CC=C1F)N2CCCCC2

DOS

IR

Vibrations