Geometry & MOs

Info

ID:	287553
PubChem CID:	104246937
Reduced:	N3C16H25 (1)
Stoich.:	A3B16C25 (1)
Weight, g/mol:	274.179361
ΔH_f, kcal/mol:	7.33
Dipole, Da:	2.72
IP(EA), eV:	-7.96(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-ethylpiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CNCCC1CCCCN1C2=NC3=C(CCC3)C=C2

DOS

IR

Vibrations