Geometry & MOs

Info

ID:	121954
PubChem CID:	50787709
Reduced:	FO3N6H21C22 (1)
Stoich.:	AB3C6D21E22 (1)
Weight, g/mol:	432.190989
ΔH_f, kcal/mol:	-52.88
Dipole, Da:	3.58
IP(EA), eV:	-8.84(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylphenyl)methyl]-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide

Drug info:

PubChemData

Smile

C1COCCN1C2=NC3=CC=CC=C3N4C2=NN(C4=O)CC(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations