Geometry & MOs

Info

ID:	127599
PubChem CID:	51008164
Reduced:	NO3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	406.210387
ΔH_f, kcal/mol:	-85.29
Dipole, Da:	3.89
IP(EA), eV:	-10.2(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (1S,5S)-2-acetyloxy-4-hex-1-ynyl-6,7-diazabicyclo[3.2.2]non-2-ene-6,7-dicarboxylate

Drug info:

PubChemData

Smile

C1C[C@@H]2C[C@@H]1[C@H]3[C@H]2C(=O)N(C3=O)O

DOS

IR

Vibrations