Geometry & MOs

Info

ID:	362035
PubChem CID:	127305572
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	388.227454
ΔH_f, kcal/mol:	-78.38
Dipole, Da:	6.46
IP(EA), eV:	-8.74(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(1-azabicyclo[2.2.2]octan-3-yl)-1-N-(2-fluorophenyl)-3-N-methylpiperidine-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C(=O)N1)C(=O)N(C)C2CN3CCC2CC3

DOS

IR

Vibrations