Geometry & MOs

Info

ID:	202939
PubChem CID:	79748380
Reduced:	ClFN2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	248.188863
ΔH_f, kcal/mol:	-4.21
Dipole, Da:	3.6
IP(EA), eV:	-9.16(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-4-methoxybutan-1-amine

Drug info:

PubChemData

Smile

CNC(C1CCC2=C1N=CC=C2)C3=C(C(=CC=C3)Cl)F

DOS

IR

Vibrations