Geometry & MOs

Info

ID:	228375
PubChem CID:	87564130
Reduced:	BrON2H17C18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	260.040421
ΔH_f, kcal/mol:	61.77
Dipole, Da:	4.15
IP(EA), eV:	-8.96(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enal

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC=C(C=C2)C#CC3=CN=C(C=C3)Br

DOS

IR

Vibrations