Geometry & MOs

Info

ID:	150735
PubChem CID:	53790431
Reduced:	O2N7C31H39 (1)
Stoich.:	A2B7C31D39 (1)
Weight, g/mol:	153.115364
ΔH_f, kcal/mol:	28.17
Dipole, Da:	6.19
IP(EA), eV:	-9.64(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]ethanone

Drug info:

PubChemData

Smile

CCCCCCC1=NN(C(=N1)CCC2CCC(CC2)C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5

DOS

IR

Vibrations