Geometry & MOs

Info

ID:	207980
PubChem CID:	80476650
Reduced:	SN2C8H14 (1)
Stoich.:	AB2C8D14 (1)
Weight, g/mol:	237.104817
ΔH_f, kcal/mol:	15.48
Dipole, Da:	1.51
IP(EA), eV:	-9.62(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine

Drug info:

PubChemData

Smile

CCC(C)C(C1=CN=CS1)N

DOS

IR

Vibrations