Geometry & MOs

Info

ID:	337666
PubChem CID:	127258289
Reduced:	O2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	242.02652
ΔH_f, kcal/mol:	-77.03
Dipole, Da:	3.55
IP(EA), eV:	-9.31(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-4-chloro-2-[chloro-(4-methylphenyl)methylidene]butanal

Drug info:

PubChemData

Smile

C/C=C/1\CC2CC1C(C2)OCCCC=O

DOS

IR

Vibrations