Geometry & MOs

Info

ID:	48511
PubChem CID:	10852044
Reduced:	NO2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	304.158706
ΔH_f, kcal/mol:	-135.44
Dipole, Da:	4.74
IP(EA), eV:	-8.56(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-cyano-4-(4-fluorophenyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@H]1C(=O)N/C(=C\C2=CC(=C(C=C2)OC)OC)/C(=O)N1

DOS

IR

Vibrations