Geometry & MOs

Info

ID:	306064
PubChem CID:	125001509
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	439.22712
ΔH_f, kcal/mol:	-93.1
Dipole, Da:	1.11
IP(EA), eV:	-8.93(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[4-[2-[1-(oxane-4-carbonyl)piperidin-4-yl]ethyl]pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCC3(CC2)[C@H](CCCO3)O

DOS

IR

Vibrations