Geometry & MOs

Info

ID:	431222
PubChem CID:	135171292
Reduced:	O2N5C23H29 (1)
Stoich.:	A2B5C23D29 (1)
Weight, g/mol:	341.11757
ΔH_f, kcal/mol:	26.22
Dipole, Da:	1.19
IP(EA), eV:	-9.11(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(3-cyanophenoxy)piperidin-1-yl]-2-fluoropyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=NOC(=C2)C3CC3)C(=O)C4=CC5=C(N4)C=CC=N5

DOS

IR

Vibrations