Geometry & MOs

Info

ID:	330347
PubChem CID:	127247334
Reduced:	ClO2N4C15H17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	322.179361
ΔH_f, kcal/mol:	-41.55
Dipole, Da:	6.41
IP(EA), eV:	-9.25(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-indol-3-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)C3=CNC(=O)C(=C3)Cl

DOS

IR

Vibrations