Geometry & MOs

Info

ID:	243826
PubChem CID:	99239879
Reduced:	BrON6C19H25 (1)
Stoich.:	ABC6D19E25 (1)
Weight, g/mol:	460.07462
ΔH_f, kcal/mol:	50.28
Dipole, Da:	4.79
IP(EA), eV:	-8.21(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=NNC(=C3Br)C4CC4

DOS

IR

Vibrations