Geometry & MOs

Info

ID:	314074
PubChem CID:	126620307
Reduced:	N2O5C26H34 (1)
Stoich.:	A2B5C26D34 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-197.8
Dipole, Da:	5.24
IP(EA), eV:	-8.3(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]acetate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)N2CC[C@H](C2)OCC(=O)OC(C)(C)C)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations