Geometry & MOs

Info

ID:	200195
PubChem CID:	79361248
Reduced:	NF2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	260.200097
ΔH_f, kcal/mol:	-225.89
Dipole, Da:	5.31
IP(EA), eV:	-8.66(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

CC(C)(CCNC1=CC2=C(C=C1)OC(O2)(F)F)O

DOS

IR

Vibrations