Geometry & MOs

Info

ID:	121743
PubChem CID:	50779821
Reduced:	BrFO2N3C21H23 (1)
Stoich.:	ABC2D3E21F23 (1)
Weight, g/mol:	431.06447
ΔH_f, kcal/mol:	-81.64
Dipole, Da:	1.88
IP(EA), eV:	-9.27(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1)C(=O)CCN(CC2=CC=C(C=C2)Br)C(=O)C3=CC(=CC=C3)F

DOS

IR

Vibrations