Geometry & MOs

Info

ID:	446269
PubChem CID:	135273672
Reduced:	BrN2C8H9 (1)
Stoich.:	AB2C8D9 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	36.81
Dipole, Da:	1.54
IP(EA), eV:	-8.8(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]-1H-indazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)N)C=N

DOS

IR

Vibrations