Geometry & MOs

Info

ID:	330046
PubChem CID:	127247033
Reduced:	SO2N4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	-17.5
Dipole, Da:	5.86
IP(EA), eV:	-8.74(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone

Drug info:

PubChemData

Smile

CN(C)C1=NC(=CN=C1)C2CCCN2S(=O)(=O)CC3=CC=CC=C3

DOS

IR

Vibrations