Geometry & MOs

Info

ID:	246463
PubChem CID:	103059736
Reduced:	SN4C11H12 (1)
Stoich.:	AB4C11D12 (1)
Weight, g/mol:	276.115716
ΔH_f, kcal/mol:	76.46
Dipole, Da:	1.81
IP(EA), eV:	-8.65(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC=C(N=C1)CSC2=CC=CC=N2

DOS

IR

Vibrations