Geometry & MOs

Info

ID:	330049
PubChem CID:	127247036
Reduced:	SO2N5C16H27 (1)
Stoich.:	AB2C5D16E27 (1)
Weight, g/mol:	349.19026
ΔH_f, kcal/mol:	-52.57
Dipole, Da:	3.96
IP(EA), eV:	-8.61(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone

Drug info:

PubChemData

Smile

CN(C)C1=NC(=CN=C1)C2CCCN2C3CCN(CC3)S(=O)(=O)C

DOS

IR

Vibrations