Geometry & MOs

Info

ID:	145303
PubChem CID:	53495265
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	324.082016
ΔH_f, kcal/mol:	-102.72
Dipole, Da:	1.29
IP(EA), eV:	-8.98(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-phenylsulfanyl-1-prop-2-enoxyprop-2-ynyl)-1,3-benzodioxole

Drug info:

PubChemData

Smile

CC1(O[C@H]2CCC=C([C@H]2O1)CCNC)C

DOS

IR

Vibrations