Geometry & MOs

Info

ID:	56679
PubChem CID:	21317893
Reduced:	OC13H23 (2)
Stoich.:	AB13C23 (2)
Weight, g/mol:	247.006816
ΔH_f, kcal/mol:	-157.37
Dipole, Da:	1.99
IP(EA), eV:	-8.25(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyano-5-methylthiophen-3-yl) dimethyl phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCC1=C(C=CC(=C1CCCCCCCCC)OCC)O

DOS

IR

Vibrations