Geometry & MOs

Info

ID:	294621
PubChem CID:	117474535
Reduced:	BrN3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	293.05276
ΔH_f, kcal/mol:	42.72
Dipole, Da:	2.74
IP(EA), eV:	-8.74(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-7-(piperidin-2-ylmethyl)-2H-indazole

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)CC3CCCN3)C(=N1)Br

DOS

IR

Vibrations