Geometry & MOs

Info

ID:	378513
PubChem CID:	134224599
Reduced:	NOC16H19 (1)
Stoich.:	ABC16D19 (1)
Weight, g/mol:	332.099969
ΔH_f, kcal/mol:	13.5
Dipole, Da:	2.8
IP(EA), eV:	-8.96(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3E,4Z)-1,1,1-trifluoro-3-prop-2-enylidene-2-(trifluoromethyl)hepta-4,6-dien-2-yl]benzene

Drug info:

PubChemData

Smile

CCC(C)[C@@H]1C[C@H]1C2=CN=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations