Geometry & MOs

Info

ID:	25571
PubChem CID:	626622
Reduced:	N3H17C21 (1)
Stoich.:	A3B17C21 (1)
Weight, g/mol:	297.152892
ΔH_f, kcal/mol:	118.03
Dipole, Da:	7.36
IP(EA), eV:	-8.87(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoro-2-methyl-4-piperidin-1-ylphenyl)-phenylmethanone

Drug info:

PubChemData

Smile

CC1(C(=C(NC(=C1C#N)C2=CC=CC=C2)C3=CC=CC=C3)C#N)C

DOS

IR

Vibrations