Geometry & MOs

Info

ID:	146574
PubChem CID:	53706718
Reduced:	O4C23H23 (2)
Stoich.:	A4B23C23 (2)
Weight, g/mol:	181.110279
ΔH_f, kcal/mol:	-248.28
Dipole, Da:	2.78
IP(EA), eV:	-9.26(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1-azabicyclo[2.2.1]heptan-3-ylidene)acetate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1COC(=O)C2=CC(=C(C=C2C(=O)OCC3=CC=CC=C3CC)C(=O)OCC4=CC=CC=C4CC)C(=O)OCC5=CC=CC=C5CC

DOS

IR

Vibrations