Geometry & MOs

Info

ID:	437949
PubChem CID:	135227344
Reduced:	N5F8H11C22 (1)
Stoich.:	A5B8C11D22 (1)
Weight, g/mol:	205.107834
ΔH_f, kcal/mol:	-268.54
Dipole, Da:	3.54
IP(EA), eV:	-9.64(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hexa-1,3-dien-2-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=CN3C(=NC(=C3C4=C(C5=C(C=C4)NN=C5)F)C(F)(F)F)C=N2)CC(F)(F)F)F

DOS

IR

Vibrations