Geometry & MOs

Info

ID:	121361
PubChem CID:	50764981
Reduced:	O2N3C20H21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	-16.29
Dipole, Da:	0.86
IP(EA), eV:	-8.41(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 3-(2,5-dimethylanilino)quinoxaline-2-carboxylate

Drug info:

PubChemData

Smile

CCCOC(=O)C1=NC2=CC=CC=C2N=C1NC3=CC=C(C=C3)CC

DOS

IR

Vibrations