Geometry & MOs

Info

ID:	68073
PubChem CID:	46507712
Reduced:	O2N5H19C20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	347.138225
ΔH_f, kcal/mol:	12.31
Dipole, Da:	4.33
IP(EA), eV:	-8.91(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CN2C(=O)N3C4=CC=CC=C4N=CC3=N2)C

DOS

IR

Vibrations