Geometry & MOs

Info

ID:	330273
PubChem CID:	127247260
Reduced:	ON4C18H18 (1)
Stoich.:	AB4C18D18 (1)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	43.38
Dipole, Da:	6.28
IP(EA), eV:	-9.53(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-indol-3-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=NN2)C(=O)C3=CC4=CC=CC=C4N=C3

DOS

IR

Vibrations