Geometry & MOs

Info

ID:	56687
PubChem CID:	21317903
Reduced:	NO3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	305.048681
ΔH_f, kcal/mol:	-140.51
Dipole, Da:	4.32
IP(EA), eV:	-10.3(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-butoxy-2-cyanothiophen-3-yl) dimethyl phosphate

Drug info:

PubChemData

Smile

CCCCOC(=N)CC(=O)OCC

DOS

IR

Vibrations