Geometry & MOs

Info

ID:	125008
PubChem CID:	50907270
Reduced:	ClO2H11C16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	304.005785
ΔH_f, kcal/mol:	-5.82
Dipole, Da:	0.96
IP(EA), eV:	-9.94(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]benzaldehyde

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)Cl)C=O

DOS

IR

Vibrations