Geometry & MOs

Info

ID:	51740
PubChem CID:	12014469
Reduced:	BrN2H3C9 (2)
Stoich.:	AB2C3D9 (2)
Weight, g/mol:	480.157288
ΔH_f, kcal/mol:	224.37
Dipole, Da:	3.63
IP(EA), eV:	-9.85(-2.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3,5-bis[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde

Drug info:

PubChemData

Smile

C1=CC2=C3C(=CC=C4C3=C1C(=NC#N)C=CC4=NC#N)C(=C2Br)Br

DOS

IR

Vibrations