Geometry & MOs

Info

ID:	290396
PubChem CID:	104450646
Reduced:	ClON3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	224.073182
ΔH_f, kcal/mol:	-12.09
Dipole, Da:	4.11
IP(EA), eV:	-9.33(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylsulfinylpropan-2-ylamino)pyrazine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1C(CCO1)(C)NC2=CC(=NC(=N2)C3CC3)Cl

DOS

IR

Vibrations