Geometry & MOs

Info

ID:	446573
PubChem CID:	135276132
Reduced:	O4N6C21H30 (1)
Stoich.:	A4B6C21D30 (1)
Weight, g/mol:	455.24673
ΔH_f, kcal/mol:	-105.29
Dipole, Da:	6.75
IP(EA), eV:	-8.64(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[4-[(1-methyl-7-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]butanamide

Drug info:

PubChemData

Smile

CCCOC(=O)NCCCCNC1=NC2=C(C=CC(=C2)OCCOC)N3C1=NN=C3C

DOS

IR

Vibrations