Geometry & MOs

Info

ID:	330274
PubChem CID:	127247261
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	27.38
Dipole, Da:	6.15
IP(EA), eV:	-8.43(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylindol-3-yl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=NN2)C(=O)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations