Geometry & MOs

Info

ID:	330262
PubChem CID:	127247249
Reduced:	ON6C15H16 (1)
Stoich.:	AB6C15D16 (1)
Weight, g/mol:	296.138559
ΔH_f, kcal/mol:	73.94
Dipole, Da:	8.44
IP(EA), eV:	-9.28(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=NN2)C(=O)C3=C4N=CC=CN4N=C3

DOS

IR

Vibrations