Geometry & MOs

Info

ID:	126917
PubChem CID:	50984478
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	309.190421
ΔH_f, kcal/mol:	-12.16
Dipole, Da:	2.33
IP(EA), eV:	-9.12(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CC1=NC2=C(CCN(CC2)C(=O)C)C(=N1)NCC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations