Geometry & MOs

Info

ID:	436043
PubChem CID:	135193524
Reduced:	BrO2F3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	284.081537
ΔH_f, kcal/mol:	-235.8
Dipole, Da:	4.26
IP(EA), eV:	-10.12(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-chloro-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CC(=CC(=C1)Br)C(F)(F)F

DOS

IR

Vibrations