Geometry & MOs

Info

ID:	246470
PubChem CID:	103059753
Reduced:	SN7C12H17 (1)
Stoich.:	AB7C12D17 (1)
Weight, g/mol:	222.068766
ΔH_f, kcal/mol:	109.54
Dipole, Da:	7.62
IP(EA), eV:	-9.04(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazin-2-amine

Drug info:

PubChemData

Smile

CNC1=NC=C(N=C1)CSC2=NN=NN2C3CCCC3

DOS

IR

Vibrations