Geometry & MOs

Info

ID:	124497
PubChem CID:	50885245
Reduced:	BrN2O3H11C14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	347.126991
ΔH_f, kcal/mol:	-43.89
Dipole, Da:	6.22
IP(EA), eV:	-8.74(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(4-acetamidophenyl)iminomethyl]furan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=NNC2=CC(=C(C=C2)O)C(=O)O)Br

DOS

IR

Vibrations