Geometry & MOs

Info

ID:	182706
PubChem CID:	76929487
Reduced:	OSN4C14H26 (1)
Stoich.:	ABC4D14E26 (1)
Weight, g/mol:	296.167083
ΔH_f, kcal/mol:	-49.3
Dipole, Da:	2.35
IP(EA), eV:	-9.16(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations