Geometry & MOs

Info

ID:	276020
PubChem CID:	103819994
Reduced:	OSN3C11H19 (1)
Stoich.:	ABC3D11E19 (1)
Weight, g/mol:	256.135782
ΔH_f, kcal/mol:	-41.5
Dipole, Da:	0.83
IP(EA), eV:	-8.88(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-(ethylamino)pyrazin-2-yl]amino]-2-methylsulfanylbutan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)NC(C)C(CO)SC

DOS

IR

Vibrations