Geometry & MOs

Info

ID:	10229
PubChem CID:	99133
Reduced:	O2N4H16C17 (1)
Stoich.:	A2B4C16D17 (1)
Weight, g/mol:	308.127326
ΔH_f, kcal/mol:	25.92
Dipole, Da:	4.26
IP(EA), eV:	-9.23(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(pyridin-4-ylmethylamino)ethylamino]quinoline-5,8-dione

Drug info:

PubChemData

Smile

C1=CC2=C(C(=O)C=C(C2=O)NCCNCC3=CC=NC=C3)N=C1

DOS

IR

Vibrations