Geometry & MOs

Info

ID:	226789
PubChem CID:	87558325
Reduced:	ClO2F3C9H12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	156.11503
ΔH_f, kcal/mol:	-271.62
Dipole, Da:	3.89
IP(EA), eV:	-10.54(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-2-ethylpropanedial

Drug info:

PubChemData

Smile

CC(C)(C/C=C(\C(F)(F)F)/Cl)CC(=O)O

DOS

IR

Vibrations