Geometry & MOs

Info

ID:	391206
PubChem CID:	135003533
Reduced:	ON2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	288.044887
ΔH_f, kcal/mol:	31.76
Dipole, Da:	3.13
IP(EA), eV:	-8.67(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[butoxy-[(E)-1,2-dichloroethenyl]phosphoryl]oxybutane

Drug info:

PubChemData

Smile

COCCC1=C(N=C2N1C=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations