Geometry & MOs

Info

ID:	81147
PubChem CID:	49854402
Reduced:	O2N4F6H18C19 (1)
Stoich.:	A2B4C6D18E19 (1)
Weight, g/mol:	438.05791
ΔH_f, kcal/mol:	-348.57
Dipole, Da:	1.38
IP(EA), eV:	-9.12(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN2C(=O)C=C(N=C2N([C@@H]1C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)N4CCOCC4

DOS

IR

Vibrations