Geometry & MOs

Info

ID:	287531
PubChem CID:	104246165
Reduced:	F2O2N3C9H13 (1)
Stoich.:	A2B2C3D9E13 (1)
Weight, g/mol:	233.189198
ΔH_f, kcal/mol:	-161.22
Dipole, Da:	6.12
IP(EA), eV:	-9.27(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N'-propan-2-ylpropane-1,3-diamine

Drug info:

PubChemData

Smile

C1C(C(CN1CC2=NC=CN2C(F)F)O)O

DOS

IR

Vibrations