Geometry & MOs

Info

ID:	402670
PubChem CID:	135056801
Reduced:	NCl2O2H17C18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	208.029107
ΔH_f, kcal/mol:	-65.08
Dipole, Da:	2.65
IP(EA), eV:	-8.52(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl (2E)-5-chloropenta-2,4-dienoate

Drug info:

PubChemData

Smile

C1CC2[C@H](C3=C(C=C(C=C3Cl)Cl)O[C@@H]2OC1)NC4=CC=CC=C4

DOS

IR

Vibrations