Geometry & MOs

Info

ID:	393895
PubChem CID:	135021922
Reduced:	ClOH6C8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	304.066636
ΔH_f, kcal/mol:	-43.89
Dipole, Da:	3.21
IP(EA), eV:	-9.6(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(Z)-2-chloro-2-(4-fluoro-3-methylphenyl)ethenyl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations