Geometry & MOs

Info

ID:	390889
PubChem CID:	135001450
Reduced:	BrFO3H14C18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	226.066365
ΔH_f, kcal/mol:	-106.85
Dipole, Da:	0.67
IP(EA), eV:	-10.05(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-(2-methyl-3-oxopropyl)thiophen-2-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C1=CC(=CC(=C1)Br)C(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations