Geometry & MOs

Info

ID:	446565
PubChem CID:	135276036
Reduced:	ON6C22H24 (1)
Stoich.:	AB6C22D24 (1)
Weight, g/mol:	248.046489
ΔH_f, kcal/mol:	54.53
Dipole, Da:	6.78
IP(EA), eV:	-8.46(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(C3=NN=C(N23)C)NCCCCNC(=O)C4=CC=CC=C4

DOS

IR

Vibrations