Geometry & MOs

Info

ID:	396421
PubChem CID:	135028395
Reduced:	BrOH5C10 (3)
Stoich.:	ABC5D10 (3)
Weight, g/mol:	277.146664
ΔH_f, kcal/mol:	65.36
Dipole, Da:	0.19
IP(EA), eV:	-8.67(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(benzylamino)methylidene]-1-phenylpent-4-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C3=C4C(=C5C(=C3O2)C(=C(O5)C6=CC=CC=C6)Br)C(=C(O4)C7=CC=CC=C7)Br)Br

DOS

IR

Vibrations