Geometry & MOs

Info

ID:	358755
PubChem CID:	127296582
Reduced:	OS2N5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	389.221561
ΔH_f, kcal/mol:	55.9
Dipole, Da:	2.64
IP(EA), eV:	-8.72(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-indol-2-yl)-N-(2-pyrrolidin-1-ylpyridin-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC(=N2)CN3CCCC3)SCC4=NC(=NO4)C)C

DOS

IR

Vibrations