Geometry & MOs

Info

ID:	376154
PubChem CID:	134222158
Reduced:	ClN2O2F6H23C24 (1)
Stoich.:	AB2C2D6E23F24 (1)
Weight, g/mol:	384.090405
ΔH_f, kcal/mol:	-391.35
Dipole, Da:	0.8
IP(EA), eV:	-9.55(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(3-chloro-4-fluoro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]-2-ethylbenzaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)Cl)C(/C=C/C2=CC(=C(C=C2)C(=O)NCC(=O)NCC(F)(F)F)C)C(F)(F)F

DOS

IR

Vibrations