Geometry & MOs

Info

ID:	346678
PubChem CID:	127271182
Reduced:	FO2N4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	325.122655
ΔH_f, kcal/mol:	-65.09
Dipole, Da:	4.96
IP(EA), eV:	-8.9(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)C(=NC=N2)NCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations