Geometry & MOs

Info

ID:	267292
PubChem CID:	103581660
Reduced:	BrClN2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	402.07097
ΔH_f, kcal/mol:	8.53
Dipole, Da:	2.91
IP(EA), eV:	-8.54(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(4-bromo-3-chlorophenyl)methylamino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)N(C)CCNCC1=CC(=C(C=C1)Br)Cl

DOS

IR

Vibrations