Geometry & MOs

Info

ID:	446579
PubChem CID:	135276163
Reduced:	ON3C12H14 (2)
Stoich.:	AB3C12D14 (2)
Weight, g/mol:	384.227374
ΔH_f, kcal/mol:	-2.0
Dipole, Da:	3.55
IP(EA), eV:	-8.63(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-5-[(7-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]pentanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCCNC1=NC2=CC=CC=C2N3C1=NN=C3C4=CC=CC=C4

DOS

IR

Vibrations