Geometry & MOs

Info

ID:	426867
PubChem CID:	135154270
Reduced:	ClO3N4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	431.175753
ΔH_f, kcal/mol:	-63.37
Dipole, Da:	3.77
IP(EA), eV:	-8.68(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(3-cyanophenoxy)piperidin-1-yl]-2-fluoro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)COC)N2CCC(CC2)OC3=CN=C(C=C3)OC

DOS

IR

Vibrations