Geometry & MOs

Info

ID:	265638
PubChem CID:	103535819
Reduced:	BrN2O2C15H23 (1)
Stoich.:	AB2C2D15E23 (1)
Weight, g/mol:	284.173607
ΔH_f, kcal/mol:	-60.78
Dipole, Da:	1.52
IP(EA), eV:	-9.01(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-1-(3-methoxypyrrolidine-1-carbonyl)piperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

COCCNCC1=C(C=C(C=C1)Br)N2CCC(C2)OC

DOS

IR

Vibrations