Geometry & MOs

Info

ID:	269609
PubChem CID:	103618186
Reduced:	BrFN2O2C16H22 (1)
Stoich.:	ABC2D2E16F22 (1)
Weight, g/mol:	319.169605
ΔH_f, kcal/mol:	-145.04
Dipole, Da:	2.62
IP(EA), eV:	-8.81(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(2-cyano-3-fluoroanilino)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)NC2=C(C=CC(=C2)Br)F

DOS

IR

Vibrations