Geometry & MOs

Info

ID:	305860
PubChem CID:	124971549
Reduced:	BrN2O3C27H33 (1)
Stoich.:	AB2C3D27E33 (1)
Weight, g/mol:	310.146347
ΔH_f, kcal/mol:	-109.74
Dipole, Da:	2.39
IP(EA), eV:	-8.91(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C[C@]2(CCCN(C2)C(=O)CC3=CC=CC=C3Br)COC4=CC=CC=C4

DOS

IR

Vibrations