Geometry & MOs

Info

ID:	28476
PubChem CID:	827830
Reduced:	FON3H16C20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	280.157563
ΔH_f, kcal/mol:	16.62
Dipole, Da:	3.99
IP(EA), eV:	-8.56(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-anilinophenyl)-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C(/C#N)\C(=O)NCCC2=CNC3=CC=CC=C32)F

DOS

IR

Vibrations