Geometry & MOs

Info

ID:	376220
PubChem CID:	134222230
Reduced:	Cl2F3N3H18C22 (1)
Stoich.:	A2B3C3D18E22 (1)
Weight, g/mol:	385.176582
ΔH_f, kcal/mol:	-54.98
Dipole, Da:	5.19
IP(EA), eV:	-8.56(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-2-aminoethenyl]amino]-5-[(E)-3-(3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-3-methylbenzonitrile

Drug info:

PubChemData

Smile

CC(=NN(C=C)C1=C(C=C(C=C1)/C=C/C(C2=CC(=CC(=C2)Cl)Cl)C(F)(F)F)C#N)C

DOS

IR

Vibrations