Geometry & MOs

Info

ID:	182794
PubChem CID:	76938361
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	302.130028
ΔH_f, kcal/mol:	-0.15
Dipole, Da:	2.29
IP(EA), eV:	-8.55(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-oxo-6-propyl-1,3-diazinan-2-yl)sulfanylmethyl]oxolane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCNCC1=CC2=CC=CC=C2C(=N1)OCC=CC

DOS

IR

Vibrations