Geometry & MOs

Info

ID:	420687
PubChem CID:	135114667
Reduced:	N6C17H22 (1)
Stoich.:	A6B17C22 (1)
Weight, g/mol:	341.190341
ΔH_f, kcal/mol:	59.68
Dipole, Da:	3.47
IP(EA), eV:	-8.81(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)methyl-methylamino]-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)N)CN(C1)CC4=C(N=CC=C4)N

DOS

IR

Vibrations