Geometry & MOs

Info

ID:	374394
PubChem CID:	131328171
Reduced:	BrFO3H8C10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	235.030314
ΔH_f, kcal/mol:	-133.74
Dipole, Da:	5.14
IP(EA), eV:	-9.91(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-5-pyridin-4-ylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)Br)C(=O)C(=O)OC

DOS

IR

Vibrations