Geometry & MOs

Info

ID:	246464
PubChem CID:	103059740
Reduced:	SN6C12H16 (1)
Stoich.:	AB6C12D16 (1)
Weight, g/mol:	290.131366
ΔH_f, kcal/mol:	79.09
Dipole, Da:	5.12
IP(EA), eV:	-8.66(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanylmethyl)pyrazin-2-amine

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)SCC3=CN=C(C=N3)N

DOS

IR

Vibrations