Geometry & MOs

Info

ID:	305559
PubChem CID:	124960099
Reduced:	ON6C27H36 (1)
Stoich.:	AB6C27D36 (1)
Weight, g/mol:	321.125946
ΔH_f, kcal/mol:	46.52
Dipole, Da:	5.38
IP(EA), eV:	-8.38(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylpyrazol-4-yl)-3-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine

Drug info:

PubChemData

Smile

CN(C)CC1=C(C=CC(=C1)CN2CCC[C@@H](C2)C3=CC(=NC(=N3)C4=CN=CC=C4)N(C)C)OC

DOS

IR

Vibrations