Geometry & MOs

Info

ID:	424805
PubChem CID:	135123995
Reduced:	BrSO2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	-28.99
Dipole, Da:	4.13
IP(EA), eV:	-8.73(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2,3-dimethylquinoxalin-5-yl)oxyacetate

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)Br)COCC2=CC=C(C=C2)OC

DOS

IR

Vibrations