Geometry & MOs

Info

ID:	282123
PubChem CID:	103916365
Reduced:	BrNO4C17H26 (1)
Stoich.:	ABC4D17E26 (1)
Weight, g/mol:	313.261694
ΔH_f, kcal/mol:	-175.98
Dipole, Da:	0.74
IP(EA), eV:	-9.27(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-ethyl-3-(2-methylpentoxy)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1(CCCN(C1)C(=O)OC(C)(C)C)OCC2=CC=C(O2)Br

DOS

IR

Vibrations