Geometry & MOs

Info

ID:	407211
PubChem CID:	135079567
Reduced:	NSO3C19H19 (1)
Stoich.:	ABC3D19E19 (1)
Weight, g/mol:	290.02652
ΔH_f, kcal/mol:	1.99
Dipole, Da:	6.47
IP(EA), eV:	-9.3(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-chloro-2-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enal

Drug info:

PubChemData

Smile

CCCC(=NOS(=O)(=O)C1=CC=C(C=C1)C)C#CC2=CC=CC=C2

DOS

IR

Vibrations