Geometry & MOs

Info

ID:	221280
PubChem CID:	85267088
Reduced:	ClN5O5C14H16 (1)
Stoich.:	AB5C5D14E16 (1)
Weight, g/mol:	369.95032
ΔH_f, kcal/mol:	-162.83
Dipole, Da:	6.81
IP(EA), eV:	-9.07(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2-dibromo-3,3-dimethylbut-1-enyl)quinoxaline

Drug info:

PubChemData

Smile

CC(=O)OCC1C(CC(O1)N2C=NC3=C2N=C(N=C3Cl)N)OC(=O)C

DOS

IR

Vibrations