Geometry & MOs

Info

ID:	446624
PubChem CID:	135276473
Reduced:	O3N6C22H34 (1)
Stoich.:	A3B6C22D34 (1)
Weight, g/mol:	314.185509
ΔH_f, kcal/mol:	-57.15
Dipole, Da:	1.43
IP(EA), eV:	-7.81(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(7-ethoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine

Drug info:

PubChemData

Smile

CCCCCNC1=NC2=CC(=C(C=C2N(C1=N)C(=N)C)OC)OCCN3CCOCC3

DOS

IR

Vibrations