Geometry & MOs

Info

ID:	375077
PubChem CID:	131465796
Reduced:	ON4C9H10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	209.073517
ΔH_f, kcal/mol:	31.87
Dipole, Da:	6.91
IP(EA), eV:	-9.33(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]thiazin-2-yl)propanenitrile

Drug info:

PubChemData

Smile

CN1CC(C2=C(C1)C(=O)N=CN2)C#N

DOS

IR

Vibrations