Geometry & MOs

Info

ID:	68071
PubChem CID:	46507709
Reduced:	O2N5H17C19 (1)
Stoich.:	A2B5C17D19 (1)
Weight, g/mol:	379.128054
ΔH_f, kcal/mol:	23.32
Dipole, Da:	3.46
IP(EA), eV:	-8.8(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethoxyphenyl)-2-(1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CN2C(=O)N3C4=CC=CC=C4N=CC3=N2

DOS

IR

Vibrations