Geometry & MOs

Info

ID:	246431
PubChem CID:	103059644
Reduced:	SN6C8H10 (1)
Stoich.:	AB6C8D10 (1)
Weight, g/mol:	236.084416
ΔH_f, kcal/mol:	97.78
Dipole, Da:	5.08
IP(EA), eV:	-8.97(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyrazin-2-amine

Drug info:

PubChemData

Smile

CNC1=NC=C(N=C1)CSC2=NC=NN2

DOS

IR

Vibrations