Geometry & MOs

Info

ID:	346664
PubChem CID:	127271168
Reduced:	SO3N5C17H21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	372.209616
ΔH_f, kcal/mol:	-87.19
Dipole, Da:	6.14
IP(EA), eV:	-8.26(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethylpyrazol-1-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]pyrazin-2-amine

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)N)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4

DOS

IR

Vibrations