Geometry & MOs

Info

ID:	28251
PubChem CID:	826551
Reduced:	O2H12C17 (1)
Stoich.:	A2B12C17 (1)
Weight, g/mol:	220.121178
ΔH_f, kcal/mol:	-16.01
Dipole, Da:	2.59
IP(EA), eV:	-9.36(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-cyanoacetate

Drug info:

PubChemData

Smile

C1=CC=C2C3C4=CC=CC=C4C(C2=C1)C=C3C(=O)O

DOS

IR

Vibrations