Geometry & MOs

Info

ID:	169656
PubChem CID:	75132129
Reduced:	SN3O7C34H39 (1)
Stoich.:	AB3C7D34E39 (1)
Weight, g/mol:	168.126263
ΔH_f, kcal/mol:	-249.15
Dipole, Da:	3.35
IP(EA), eV:	-8.75(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CSCCC(C(=O)NCCCCC(C(=O)O)NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations