Geometry & MOs

Info

ID:	174597
PubChem CID:	75791553
Reduced:	ClSN5C14H20 (1)
Stoich.:	ABC5D14E20 (1)
Weight, g/mol:	228.129634
ΔH_f, kcal/mol:	74.81
Dipole, Da:	3.06
IP(EA), eV:	-8.94(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(cyclopentylsulfanylmethyl)-2-methyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCCN1C(=CC=N1)C2=NN=C(N2CCC)SCC=CCl

DOS

IR

Vibrations