Geometry & MOs

Info

ID:	172176
PubChem CID:	75476357
Reduced:	N6C17H24 (1)
Stoich.:	A6B17C24 (1)
Weight, g/mol:	349.165108
ΔH_f, kcal/mol:	55.39
Dipole, Da:	3.99
IP(EA), eV:	-8.47(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propyl]quinoxalin-2-one

Drug info:

PubChemData

Smile

CC1=C(N2CCCCC2=N1)CN3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations