Geometry & MOs

Info

ID:	81148
PubChem CID:	49854404
Reduced:	BrN2O3H19C22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	378.137971
ΔH_f, kcal/mol:	-13.2
Dipole, Da:	3.05
IP(EA), eV:	-8.75(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-fluorophenyl)methoxy]-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Br

DOS

IR

Vibrations