Geometry & MOs

Info

ID:	376139
PubChem CID:	134222142
Reduced:	F3O4N6H27C29 (1)
Stoich.:	A3B4C6D27E29 (1)
Weight, g/mol:	449.94007
ΔH_f, kcal/mol:	-237.58
Dipole, Da:	4.26
IP(EA), eV:	-9.51(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-[(E)-3-(3,5-dichloro-4-methylphenyl)-4,4,4-trifluorobut-1-enyl]benzaldehyde

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C(C=C1)/C=C/C(C2=CC(=C(C(=C2)C)N3C=CC(=NC3=O)N)N4C=CC(=NC4=O)N)C(F)(F)F)C

DOS

IR

Vibrations