Geometry & MOs

Info

ID:	269610
PubChem CID:	103618188
Reduced:	FO2N3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	434.00275
ΔH_f, kcal/mol:	-119.5
Dipole, Da:	6.04
IP(EA), eV:	-9.05(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(2,4-dibromoanilino)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations