Geometry & MOs

Info

ID:	405486
PubChem CID:	135074159
Reduced:	NO2F5H16C20 (1)
Stoich.:	AB2C5D16E20 (1)
Weight, g/mol:	291.125929
ΔH_f, kcal/mol:	-203.61
Dipole, Da:	3.88
IP(EA), eV:	-9.72(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[3-(4-methoxyphenyl)-1-phenylprop-2-ynoxy]prop-2-en-1-imine

Drug info:

PubChemData

Smile

CCCC/C=C/C(=N/OC(=O)C1=C(C(=C(C(=C1F)F)F)F)F)/C2=CC=CC=C2

DOS

IR

Vibrations