Geometry & MOs

Info

ID:	376152
PubChem CID:	134222156
Reduced:	ClO2F4H19C21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	449.94007
ΔH_f, kcal/mol:	-273.48
Dipole, Da:	3.73
IP(EA), eV:	-9.75(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-[(E)-3-(3,4-dichloro-5-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)F)Cl)C(F)(F)F)C

DOS

IR

Vibrations