Geometry & MOs

Info

ID:	277530
PubChem CID:	103829237
Reduced:	FON2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	232.101191
ΔH_f, kcal/mol:	-51.34
Dipole, Da:	5.19
IP(EA), eV:	-9.49(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-[(4-oxopiperidin-1-yl)methyl]benzonitrile

Drug info:

PubChemData

Smile

C1CCC(C1)(CO)NCC2=CC(=C(C=C2)F)C#N

DOS

IR

Vibrations