Geometry & MOs

Info

ID:	269606
PubChem CID:	103618166
Reduced:	O2N3C18H37 (1)
Stoich.:	A2B3C18D37 (1)
Weight, g/mol:	328.135384
ΔH_f, kcal/mol:	-142.38
Dipole, Da:	4.47
IP(EA), eV:	-8.67(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(2-chloro-4-fluoroanilino)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(CNC1CCN(CC1)C(=O)OC(C)(C)C)N(C)C

DOS

IR

Vibrations