Geometry & MOs

Info

ID:	330264
PubChem CID:	127247251
Reduced:	ON5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	299.126991
ΔH_f, kcal/mol:	49.87
Dipole, Da:	6.12
IP(EA), eV:	-9.62(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=NN2)C(=O)C3=CN=C(N=C3)C4CC4

DOS

IR

Vibrations