Geometry & MOs

Info

ID:	376133
PubChem CID:	134222136
Reduced:	BrIO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	350.129378
ΔH_f, kcal/mol:	-61.72
Dipole, Da:	1.8
IP(EA), eV:	-9.68(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[(E)-4,4,4-trifluoro-3-(4-fluoro-3,5-dimethylphenyl)but-1-enyl]benzaldehyde

Drug info:

PubChemData

Smile

C/C(=C(\C=C/C(=C)I)/C(=O)OC(C)(C)C)/Br

DOS

IR

Vibrations