Geometry & MOs

Info

ID:	376201
PubChem CID:	134222208
Reduced:	ClF4H15C18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	405.990583
ΔH_f, kcal/mol:	-182.44
Dipole, Da:	4.44
IP(EA), eV:	-9.37(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)/C=C/C(C2=CC(=CC(=C2)C)Cl)C(F)(F)F)F

DOS

IR

Vibrations