Geometry & MOs

Info

ID:	262053
PubChem CID:	103267450
Reduced:	SN2O3C10H14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	326.99063
ΔH_f, kcal/mol:	-112.81
Dipole, Da:	5.0
IP(EA), eV:	-9.65(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromo-5-fluoro-2-methylanilino)methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(CC(=O)N)NCC1=CC=C(S1)C(=O)O

DOS

IR

Vibrations