Geometry & MOs

Info

ID:	185157
PubChem CID:	77263133
Reduced:	NO7C15H21 (1)
Stoich.:	AB7C15D21 (1)
Weight, g/mol:	418.21689
ΔH_f, kcal/mol:	-271.26
Dipole, Da:	1.92
IP(EA), eV:	-9.81(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-fluoropyridin-2-yl)ethyl]-3-(5-methylpyridin-2-yl)-5-piperidin-1-ylbenzamide

Drug info:

PubChemData

Smile

C1CNCC1OCC2=CC=CC=C2.C(C(C(=O)O)O)(C(=O)O)O

DOS

IR

Vibrations