Geometry & MOs

Info

ID:	124440
PubChem CID:	50883629
Reduced:	BrClO3H18C23 (1)
Stoich.:	ABC3D18E23 (1)
Weight, g/mol:	334.131742
ΔH_f, kcal/mol:	-24.87
Dipole, Da:	2.37
IP(EA), eV:	-8.81(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[[4-(dimethylamino)phenyl]iminomethyl]furan-2-yl]benzoic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC=CC=C2)Br)OCC3=CC=CC=C3Cl

DOS

IR

Vibrations