Geometry & MOs

Info

ID:	68153
PubChem CID:	46507844
Reduced:	BrO2N3H14C17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	-17.04
Dipole, Da:	3.82
IP(EA), eV:	-9.03(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-butylphenyl)-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N(C1=O)CC(=O)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations