Geometry & MOs

Info

ID:	261875
PubChem CID:	103256510
Reduced:	NO3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	342.96108
ΔH_f, kcal/mol:	-147.58
Dipole, Da:	3.98
IP(EA), eV:	-9.44(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(3-bromo-4-chloroanilino)ethyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(=CCNC(CO)C(C)C)C(=O)OC

DOS

IR

Vibrations