Geometry & MOs

Info

ID:	330260
PubChem CID:	127247247
Reduced:	O3N5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	294.148061
ΔH_f, kcal/mol:	-83.63
Dipole, Da:	3.11
IP(EA), eV:	-9.85(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=NN2)C(=O)CN3C(=O)CNC3=O

DOS

IR

Vibrations