Geometry & MOs

Info

ID:	302755
PubChem CID:	124394576
Reduced:	O3N4H22C26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	466.962753
ΔH_f, kcal/mol:	27.08
Dipole, Da:	5.12
IP(EA), eV:	-8.56(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-(2-fluorophenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CN(C)C1=CC(=C(C=C1)/C=C\2/C(=O)NN(C2=O)C3=CC=CC=C3)OCC4=CC=CC=C4C#N

DOS

IR

Vibrations