Geometry & MOs

Info

ID:	446583
PubChem CID:	135276214
Reduced:	O5N7C24H39 (1)
Stoich.:	A5B7C24D39 (1)
Weight, g/mol:	330.162666
ΔH_f, kcal/mol:	-162.32
Dipole, Da:	4.66
IP(EA), eV:	-8.22(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(1-methyl-7-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)pentane-1,4-diamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCCNC1=NC2=CC(=C(C=C2N=C1NN)OC)OCCN3CCOCC3

DOS

IR

Vibrations