Geometry & MOs

Info

ID:	182702
PubChem CID:	76929482
Reduced:	OSN4C13H22 (1)
Stoich.:	ABC4D13E22 (1)
Weight, g/mol:	256.135782
ΔH_f, kcal/mol:	-10.89
Dipole, Da:	1.91
IP(EA), eV:	-9.12(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCCSC1NCCC(=O)N1)(C#N)NC2CC2

DOS

IR

Vibrations