Geometry & MOs

Info

ID:	136415
PubChem CID:	52035880
Reduced:	FON7H20C21 (1)
Stoich.:	ABC7D20E21 (1)
Weight, g/mol:	434.185509
ΔH_f, kcal/mol:	48.28
Dipole, Da:	6.5
IP(EA), eV:	-9.04(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2F)C(=O)CNC3=NC4=CC=CC=C4N5C3=NN=C5

DOS

IR

Vibrations