Geometry & MOs

Info

ID:	431303
PubChem CID:	135171374
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	437.186318
ΔH_f, kcal/mol:	-7.19
Dipole, Da:	2.82
IP(EA), eV:	-8.61(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)CN

DOS

IR

Vibrations