Geometry & MOs

Info

ID:	376042
PubChem CID:	134222042
Reduced:	NCl2O2F4H19C26 (1)
Stoich.:	AB2C2D4E19F26 (1)
Weight, g/mol:	373.201734
ΔH_f, kcal/mol:	-240.66
Dipole, Da:	6.06
IP(EA), eV:	-9.55(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-N-[(E)-2-methylbut-1-enyl]aniline

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(C4=CC(=C(C(=C4)Cl)F)Cl)C(F)(F)F

DOS

IR

Vibrations