Geometry & MOs

Info

ID:	324326
PubChem CID:	126677436
Reduced:	N2O2C13H22 (1)
Stoich.:	A2B2C13D22 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-4.71
Dipole, Da:	2.27
IP(EA), eV:	-9.28(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5S)-8-cyano-10-azatricyclo[4.3.1.02,5]decane-10-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1C2CC(CC1C3[C@@H]2CC3)CN

DOS

IR

Vibrations