Geometry & MOs

Info

ID:	388400
PubChem CID:	134989046
Reduced:	IOC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	249.9484
ΔH_f, kcal/mol:	-36.78
Dipole, Da:	2.81
IP(EA), eV:	-9.16(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(Z)-1-chloro-2-dichlorophosphorylethenoxy]butane

Drug info:

PubChemData

Smile

CC/C=C(\O[C@@H]1C[C@@H]2CC[C@H]1C2(C)C)/I

DOS

IR

Vibrations