Geometry & MOs

Info

ID:	318580
PubChem CID:	126652105
Reduced:	FO2N3H16C20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	350.236956
ΔH_f, kcal/mol:	-46.15
Dipole, Da:	9.78
IP(EA), eV:	-8.82(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-fluoro-6-methyl-3-(propan-2-ylamino)phenyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=C(C(=C2)F)CO)C(=O)C3=C1NC4=C3C=CC(=C4)C#N

DOS

IR

Vibrations