Geometry & MOs

Info

ID:	216204
PubChem CID:	85085888
Reduced:	NO2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	245.156184
ΔH_f, kcal/mol:	-44.06
Dipole, Da:	4.81
IP(EA), eV:	-8.7(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(diethylamino)ethyl]-2-methylsulfanyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=C3CCCCC3=O)C1=O

DOS

IR

Vibrations