Geometry & MOs

Info

ID:	207106
PubChem CID:	80347767
Reduced:	ON6C13H18 (1)
Stoich.:	AB6C13D18 (1)
Weight, g/mol:	265.099731
ΔH_f, kcal/mol:	33.27
Dipole, Da:	7.25
IP(EA), eV:	-8.92(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(2-methoxypyridin-3-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine

Drug info:

PubChemData

Smile

CC(C)(C#N)N1CCN(CC1)C2=NN=C(C=C2)C(=O)N

DOS

IR

Vibrations