Geometry & MOs

Info

ID:	182704
PubChem CID:	76929484
Reduced:	OSN4C12H22 (1)
Stoich.:	ABC4D12E22 (1)
Weight, g/mol:	298.182733
ΔH_f, kcal/mol:	-34.67
Dipole, Da:	3.09
IP(EA), eV:	-9.19(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-[(4-oxo-1,3-diazinan-2-yl)sulfanyl]-2-(propylamino)hexanenitrile

Drug info:

PubChemData

Smile

CC(CCCCSC1NCCC(=O)N1)(C#N)NC

DOS

IR

Vibrations