Geometry & MOs

Info

ID:	305634
PubChem CID:	124963257
Reduced:	ON5C26H39 (1)
Stoich.:	AB5C26D39 (1)
Weight, g/mol:	307.110296
ΔH_f, kcal/mol:	-10.53
Dipole, Da:	3.97
IP(EA), eV:	-8.52(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]-3-(1H-pyrazol-4-yl)pyrazine

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=CC(=NN12)[C@@H]3CCCN3CC4CCCCC4)C)CCC(=O)NCC5CC5

DOS

IR

Vibrations