Geometry & MOs

Info

ID:	122772
PubChem CID:	50820963
Reduced:	ClFO2N5H19C25 (1)
Stoich.:	ABC2D5E19F25 (1)
Weight, g/mol:	455.175753
ΔH_f, kcal/mol:	-6.37
Dipole, Da:	5.65
IP(EA), eV:	-9.38(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-fluorophenyl)methyl]-7-methyl-N-[(2-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N3C(=NC(=N3)C(=O)NCC4=CC=CC=C4Cl)C(=O)N2CC5=CC(=CC=C5)F

DOS

IR

Vibrations