Geometry & MOs

Info

ID:	207487
PubChem CID:	80403271
Reduced:	BrN2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	267.183444
ΔH_f, kcal/mol:	21.83
Dipole, Da:	4.33
IP(EA), eV:	-8.41(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(1-ethylcyclopentanecarbonyl)piperidine-3-carboxylate

Drug info:

PubChemData

Smile

C1CC2CN(CC2C1)C3=NC=C(C=C3)Br

DOS

IR

Vibrations