Geometry & MOs

Info

ID:	393928
PubChem CID:	135021968
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	298.076057
ΔH_f, kcal/mol:	-71.36
Dipole, Da:	3.57
IP(EA), eV:	-9.44(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC12CCCC(C1)CC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations