Geometry & MOs

Info

ID:	287569
PubChem CID:	104247302
Reduced:	ClN2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	258.092376
ΔH_f, kcal/mol:	2.91
Dipole, Da:	1.84
IP(EA), eV:	-8.22(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(chloromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

Drug info:

PubChemData

Smile

C1CC2=C(C1)N=C(C=C2)N3CCC(C3)CCl

DOS

IR

Vibrations