Geometry & MOs

Info

ID:	122769
PubChem CID:	50820867
Reduced:	ClO2N5H22C23 (1)
Stoich.:	AB2C5D22E23 (1)
Weight, g/mol:	479.096059
ΔH_f, kcal/mol:	1.43
Dipole, Da:	4.73
IP(EA), eV:	-9.36(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-chlorophenyl)methyl]-N-(2,4-difluorophenyl)-7-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)NC4CCCC4)C(=O)N2CC5=CC(=CC=C5)Cl

DOS

IR

Vibrations