Geometry & MOs

Info

ID:	379533
PubChem CID:	134441552
Reduced:	ClN2F3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	342.190755
ΔH_f, kcal/mol:	-84.55
Dipole, Da:	3.2
IP(EA), eV:	-8.63(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[1-(2,5-dimethylphenyl)ethenyl]-4-fluoro-3-N-(3-fluoro-3-methylbut-1-en-2-yl)benzene-1,3-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)C(=C)NC2=C(C(=C(C=C2)F)NC(=C)C(C)F)F

DOS

IR

Vibrations