Geometry & MOs

Info

ID:	330002
PubChem CID:	127246989
Reduced:	ON6C16H22 (1)
Stoich.:	AB6C16D22 (1)
Weight, g/mol:	349.19026
ΔH_f, kcal/mol:	32.48
Dipole, Da:	8.37
IP(EA), eV:	-8.66(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCCN1C=CC(=N1)C(=O)N2CCCC2C3=CN=CC(=N3)NC

DOS

IR

Vibrations