Geometry & MOs

Info

ID:	246471
PubChem CID:	103059758
Reduced:	SN6C8H10 (1)
Stoich.:	AB6C8D10 (1)
Weight, g/mol:	249.079665
ΔH_f, kcal/mol:	96.21
Dipole, Da:	5.39
IP(EA), eV:	-8.9(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyrazin-2-amine

Drug info:

PubChemData

Smile

CN1C=NN=C1SCC2=CN=C(C=N2)N

DOS

IR

Vibrations