Geometry & MOs

Info

ID:	407712
PubChem CID:	135080467
Reduced:	ClO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	222.044757
ΔH_f, kcal/mol:	-52.82
Dipole, Da:	2.76
IP(EA), eV:	-9.68(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2Z,4E)-3-chloro-5-phenylpenta-2,4-dienoate

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CC=C1)/C(=C/C(=O)OC)/Cl

DOS

IR

Vibrations