Geometry & MOs

Info

ID:	162984
PubChem CID:	57581219
Reduced:	SO2N3C11H17 (1)
Stoich.:	AB2C3D11E17 (1)
Weight, g/mol:	234.089209
ΔH_f, kcal/mol:	-35.7
Dipole, Da:	4.56
IP(EA), eV:	-8.21(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-methyl-4-prop-2-ynoxyphenoxy)acetate

Drug info:

PubChemData

Smile

CNN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations